SCHEMBL1124557

SCHEMBL1124557

Cc1ccc(OBOc2ccc(C)c(N)c2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
TDP1 Q9NUW8 5/20 0.48
CASP1 P29466 2/20 0.48
CYP3A4 P08684 6/20 0.45
MAPT P10636 6/20 0.41
TSHR P16473 3/20 0.38
NR4A1 P22736 1/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2628976 0.83 ALDH1A1 (0.45) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL177356 0.79 TDP1 (0.44) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL29804592 0.79 TDP1 (0.44) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL8167265 0.79 NR4A1 (0.61) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL29569367 0.77 ALDH1A1 (0.59) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL55593 0.77 ALDH1A1 (0.59) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL31713018 0.76 ALDH1A1 (0.50) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL17181780 0.75 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL23075692 0.74 MAPT (0.54) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL24710427 0.74 NR4A1 (0.74) ALDH1A1TDP1CASP1CYP3A4MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233864-B1 COMPOSITION COMPRISING AN INDOLIZINE DERIVATIVE AND A CYCLIC DINUCLEOTIDE AS ACTIVE AGENTS UNIV AJOU IND ACADEMIC COOP FOUND (KR) 2025-02-12 EP disclosed
US-20230390319-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-12-07 US disclosed
EP-4233864-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT Ajou University Industry-Academic Cooperation Foundation (KR) 2023-08-30 EP disclosed
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
WO-2022086260-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT 아주대학교산학협력단 2022-04-28 WO disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE KANIA ROBERT STEVEN (US) 2004-11-04 US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 US disclosed
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2004-06-10 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 ALDH1A1 624/4885TDP1 2453/4885CASP1 1731/4885
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 ALDH1A1 1360/4885TDP1 2969/4885CASP1 3216/4885
US-20230390319-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT STING1, IRF3, IFNG ALDH1A1 3672/4885TDP1 572/4885CASP1 2243/4885
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 ALDH1A1 2836/4885TDP1 1359/4885CASP1 2006/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 ALDH1A1 654/4885TDP1 3729/4885CASP1 3507/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA ALDH1A1 801/4885TDP1 2210/4885CASP1 3128/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 ALDH1A1 2461/4885TDP1 1708/4885CASP1 1955/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 ALDH1A1 624/4885TDP1 2453/4885CASP1 1731/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP ALDH1A1 989/4885TDP1 2761/4885CASP1 900/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 ALDH1A1 2836/4885TDP1 1359/4885CASP1 2006/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 ALDH1A1 669/4885TDP1 3357/4885CASP1 2556/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.