SCHEMBL171160

SCHEMBL171160

Cc1ccc(Cc2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 7/20 0.54
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 6/20 0.54
CYP19A1 P11511 3/20 0.54
CYP3A4 P08684 2/20 0.54
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL13873567 0.87 CYP17A1 (0.65) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL8361590 0.85 NPC1 (0.58) ALDH1A1NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL1149394 0.84 IDO1 (0.58) CYP3A4TSHRALDH1A1KMT2AHTT
SCHEMBL11410252 0.84 IDO1 (0.58) CYP3A4TSHRALDH1A1KMT2AHTT
SCHEMBL721736 0.84 CYP17A1 (0.61) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL16274073 0.82 CYP17A1 (0.51) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11542269 0.81 NPC1 (0.59) ALDH1A1NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL3181820 0.80 CCNC (0.74) POLBTSHRALDH1A1MAPTHPGD
SCHEMBL13391081 0.80 CYP11B1 (0.45) CYP17A1CYP11B1CYP11B2CYP19A1POLB
SCHEMBL301112 0.80 CYP17A1 (0.54) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US claimed
CN-117164872-A Preparation method and application of Zn-MOF catalyst with post-synthesis modified pore canal 沈阳化工大学 2023-12-05 CN disclosed
CN-116874753-A Preparation method of nano metal organic catalyst for synthesizing PBAT (Poly-p-phenylene-co-terephthalate) 沈阳化工大学 2023-10-13 CN disclosed
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-05-20 US disclosed
WO-2021078023-A1 SMALL MOLECULE COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 WO disclosed
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy 4SC AG (DE) 2021-04-22 US disclosed
US-20200261418-A1 HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY 4SC AG (DE) 2020-08-20 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
EP-1643991-B1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
EP-1641759-B1 MALONAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
WO-2007050723-A1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 EP disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20060160853-A1 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists MERCK & CO., INC. 2006-07-20 US disclosed
US-4690931-A IN TREATMENT OF ANOXIA OR BRAIN DAMAGE SYNTHELABO (FR) 1987-09-01 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 (8 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-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors BRAF, RAF1, ARAF CYP17A1 3019/4885CYP11B1 1929/4885CYP11B2 2257/4885
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER HDAC8, TLR8, TLR7 CYP17A1 4196/4885CYP11B1 3821/4885CYP11B2 4202/4885
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis BRAF, RAF1, VEGFA CYP17A1 1070/4885CYP11B1 1223/4885CYP11B2 1446/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 CYP17A1 3184/4885CYP11B1 3827/4885CYP11B2 4590/4885
US-20060160853-A1 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists GRIN2B, GRIN1, GRIN2A CYP17A1 4463/4885CYP11B1 2999/4885CYP11B2 2582/4885
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A CYP17A1 1027/4885CYP11B1 178/4885CYP11B2 88/4885
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R CYP17A1 240/4885CYP11B1 120/4885CYP11B2 146/4885
US-20200261418-A1 HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY HDAC4, HDAC5, HDAC9 CYP17A1 4123/4885CYP11B1 4538/4885CYP11B2 4664/4885

“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.