SCHEMBL3584548

SCHEMBL3584548

O=C(O)CCc1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.52
PPARG P37231 1/20 0.52
HDAC3 O15379 2/20 0.50
CYP1A2 P05177 1/20 0.50
MET P08581 1/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
FFAR1 O14842 2/20 0.47
RAB9A P51151 1/20 0.47
GLS O94925 1/20 0.47
MCL1 Q07820 1/20 0.47
PABPC1 P11940 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
PLK1 P53350 1/20 0.47
TBXAS1 P24557 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL30244780 1.00 DAO (0.52) DAOPPARGHDAC3CYP1A2MET
SCHEMBL27947601 0.90 CYP1A2 (0.57) DAOHDAC3CYP1A2METNPC1
SCHEMBL28759783 0.86 DAO (0.54) DAOHDAC3METNPC1POLB
SCHEMBL19141142 0.86 DAO (0.51) DAOHDAC3CYP1A2METNPC1
SCHEMBL5363783 0.86 DAO (0.51) DAOHDAC3CYP1A2METNPC1
SCHEMBL1163335 0.84 HDAC3 (0.59) DAOHDAC3NPC1POLBMEN1
SCHEMBL29440893 0.84 HDAC3 (0.59) DAOHDAC3NPC1POLBMEN1
SCHEMBL22919854 0.82 ALOX15 (0.56) DAOHDAC3METNPC1POLB
SCHEMBL934234 0.82 HDAC3 (0.50) DAOHDAC3CYP1A2METNPC1
SCHEMBL23930132 0.81 HDAC6 (0.53) DAOHDAC3METNPC1POLB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008125210-A1 QUINOLINE AND NAPHTHALENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN TREATMENT OF INFLAMMATORY DISEASES UCB PHARMA, S.A. (BE) 2008-10-23 WO claimed
EP-4370530-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-22 EP disclosed
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP disclosed
WO-2021013978-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2021-01-28 WO disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008125210-A1 QUINOLINE AND NAPHTHALENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN TREATMENT OF INFLAMMATORY DISEASES UCB PHARMA, S.A. (BE) 2008-10-23 WO disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
US-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-04-28 US disclosed
EP-1396490-A1 3-QUINOLINE-2-(1H)-YLIDENEINDOLIN-2-ONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 EP 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 (3 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-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative KDR, FLT4, FLT1 DAO 2981/4885PPARG 3500/4885HDAC3 2299/4885
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG DAO 4628/4885PPARG 445/4885HDAC3 514/4885
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 DAO 2999/4885PPARG 1609/4885HDAC3 2386/4885

“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.