SCHEMBL33442

SCHEMBL33442

[c]1nc2c(-c3nccc4ccccc34)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2A6 P11509 1/20 0.36
F12 P00748 1/20 0.36
PLAU P00749 1/20 0.36
NCF1 P14598 1/20 0.36

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
SCHEMBL8560624 0.84 BCHE (0.51) BCHENPC1RAB9AMAPTKDM4E
SCHEMBL6489268 0.82 BCHE (0.40) BCHENPC1RAB9AMAPTKDM4E
SCHEMBL14921756 0.76 AR (0.33) BCHENPC1RAB9AMAPTKDM4E
SCHEMBL4363073 0.76 BCHE (0.33) BCHEMAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL3638684 0.75 KDM4E (0.49) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL4623912 0.75 METAP2 (0.35) NPC1MAPTKDM4EL3MBTL1KMT2A
SCHEMBL29986041 0.75 BCHE (0.58) BCHENPC1RAB9AMAPTKDM4E
SCHEMBL158912 0.75 BCHE (0.58) BCHENPC1RAB9AMAPTKDM4E
SCHEMBL5622080 0.74 AR (0.36) BCHENPC1RAB9AMAPTKDM4E
SCHEMBL7077778 0.74 MAPT (0.50) BCHENPC1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005392-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI (FR) 2014-01-02 US claimed
EP-1670766-B1 Bicyclic imino acid derivatives for the treatment of (inter alia) diseases relating to the locomotor system SANOFI AVENTIS DEUTSCHLAND (DE) 2012-03-21 EP claimed
JP-4733642-B2 2011-07-27 JP claimed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 US claimed
JP-4676960-B2 2011-04-27 JP claimed
JP-4658940-B2 2011-03-23 JP claimed
US-7910576-B2 Pyrrole derivatives as P2Y12 antagonists SANOFI-AVENTIS (FR) 2011-03-22 US claimed
US-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-02-17 US claimed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US claimed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US claimed
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2010-02-11 US claimed
US-20080214813-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI-AVENTIS (FR) 2008-09-04 US claimed
US-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-05 US claimed
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-09 US claimed
US-20050080127-A1 Bicyclic imino acid derivatives as inhibitors of matrix metalloproteinases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-14 US claimed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP claimed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO claimed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 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 (10 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 BCHE 2364/4885NPC1 3963/4885RAB9A 1159/4885
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 BCHE 1097/4885NPC1 4215/4885RAB9A 3260/4885
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINE1 BCHE 1122/4885NPC1 4571/4885RAB9A 3066/4885
US-20050080127-A1 Bicyclic imino acid derivatives as inhibitors of matrix metalloproteinases MMP1, MMP17, MMP25 BCHE 804/4885NPC1 1079/4885RAB9A 2905/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 BCHE 3348/4885NPC1 4195/4885RAB9A 1273/4885
US-20080214813-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES TPH2, IDO2, IDO1 BCHE 1398/4885NPC1 4430/4885RAB9A 2076/4885
US-20140005392-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES TPH2, IDO2, IDO1 BCHE 1882/4885NPC1 4223/4885RAB9A 1827/4885
US-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 BCHE 3234/4885NPC1 4213/4885RAB9A 1375/4885
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SULT2A1, ADCYAP1R1, SULT1A1 BCHE 1172/4885NPC1 1054/4885RAB9A 2119/4885
US-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments CYP4X1, AFF1, BPGM BCHE 2787/4885NPC1 1445/4885RAB9A 4169/4885

“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.