SCHEMBL2629009

SCHEMBL2629009

CNc1nccnc1NC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
YTHDC1 Q96MU7 3/20 0.33
YTHDF2 Q9Y5A9 1/20 0.33
MAP4K4 O95819 1/20 0.32
XDH P47989 1/20 0.31
FLT3 P36888 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL4777192 0.82
SCHEMBL31123507 0.80
SCHEMBL14665206 0.80
Hydrochloric Acid SCHEMBL27678758 0.80 RAB9A (0.40) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL27693702 0.80
SCHEMBL12172490 0.76 LRRK2 (0.49) PDPK1ALDH1A1LMNAGAATDP1
SCHEMBL16996917 0.76 CCR9 (0.31)
SCHEMBL2629010 0.76 MEN1 (0.45) ALDH1A1GAASMN1; SMN2TDP1CYP1A2
SCHEMBL7497078 0.76 PDE3B (0.32)
SCHEMBL31498506 0.76 PDE3B (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490710-B Metal complex and organic electroluminescent device 深圳大学 2025-02-28 CN disclosed
CN-115724860-B Alkynyl Au (I) organic complex containing pyrazinoimidazole carbene ligand, and preparation method and application thereof 中国科学院理化技术研究所 2024-12-13 CN disclosed
CN-115724860-A Alkynyl Au (I) organic complex containing pyrazinoimidazole carbene ligand as well as preparation method and application thereof 中国科学院理化技术研究所 2023-03-03 CN disclosed
CN-115490710-A Metal complex and organic electroluminescent device 深圳大学 2022-12-20 CN disclosed
CN-112794863-B Metal organic complex and preparation method and application thereof 中国科学院理化技术研究所 2022-12-20 CN disclosed
US-11322696-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-05-03 US disclosed
CN-112794863-A Metal organic complex and preparation method and application thereof 中国科学院理化技术研究所 2021-05-14 CN disclosed
EP-3050618-A1 ALDEHYDE REMOVAL MATERIAL Toyobo Co., Ltd. (JP) 2016-08-03 EP disclosed
US-20160214079-A1 ALDEHYDE REMOVING AGENT TOYOBO CO., LTD. (JP) 2016-07-28 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US 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 (4 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 PDPK1 1082/4885KDM4E 1154/4885ALDH1A1 624/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 PDPK1 909/4885KDM4E 1380/4885ALDH1A1 1360/4885
US-11322696-B2 Metal complexes AP1M1, AP3M1, AP2M1 PDPK1 4133/4885KDM4E 4376/4885ALDH1A1 2507/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 PDPK1 909/4885KDM4E 1380/4885ALDH1A1 1360/4885

“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.