SCHEMBL3575898

SCHEMBL3575898

Cc1nc2cc(NC(=O)c3cc4cc(C(F)(F)F)ccc4n3Cc3ccncc3)ccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.51
KDM4E B2RXH2 1/20 0.46
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44
CCR2 P41597 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 5/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NAMPT P43490 1/20 0.42
GLA P06280 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL15361993 0.92 RAB9A (0.52) RAB9ANPC1KDM4EFLT1KDR
Hydrochloric Acid SCHEMBL3572852 0.91 RAB9A (0.51) RAB9ANPC1KDM4EFLT1KDR
SCHEMBL15361982 0.89 RAB9A (0.52) RAB9ANPC1KDM4ECYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3573666 0.88 RAB9A (0.52) RAB9ANPC1KDM4ECYP1A2CYP2C19
SCHEMBL297607 0.81 RAB9A (0.51) RAB9ANPC1KDM4ECYP1A2CYP2C19
SCHEMBL2900716 0.80 KCNQ3 (0.54) FLT1KDRCCR2MAPTHIF1A
SCHEMBL297323 0.80 RAB9A (0.48) RAB9ANPC1KDM4ECYP1A2CYP2C19
SCHEMBL2815154 0.78 RAB9A (0.55) RAB9ANPC1KDM4ECYP1A2CYP2C19
SCHEMBL3153127 0.78 RAB9A (0.60) RAB9ANPC1KDM4ECYP1A2CYP2C19
SCHEMBL2813166 0.77 RAB9A (0.51) RAB9ANPC1KDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735432-B2 N-(Heteroaryl)-1-heteroarylalky1-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 US disclosed
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP disclosed
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof DUBOIS LAURENT (FR) 2013-02-21 US disclosed
US-8318775-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-27 US disclosed
US-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
US-7745467-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-29 US disclosed
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-06-19 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 (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-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 RAB9A 2329/4885NPC1 230/4885KDM4E 1499/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 RAB9A 2329/4885NPC1 230/4885KDM4E 1499/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 RAB9A 2329/4885NPC1 230/4885KDM4E 1499/4885

“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.