SCHEMBL925877

SCHEMBL925877

Cc1ccnc(-n2c(C(=O)Nc3ccc4c(c3)nc(C)n4C)cc3cc(F)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.52
NPC1 O15118 12/20 0.52
MAPT P10636 8/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.44
THRB P10828 1/20 0.43
NAMPT P43490 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
SCHEMBL924944 0.89 RAB9A (0.55) RAB9ANPC1MAPTATMSMN1; SMN2
SCHEMBL925616 0.88 RAB9A (0.53) RAB9ANPC1MAPTATMSMN1; SMN2
SCHEMBL925883 0.84 HTR2C (0.43) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL924865 0.84 RAB9A (0.55) RAB9ANPC1MAPTATMSMN1; SMN2
SCHEMBL3570499 0.84 RAB9A (0.51) RAB9ANPC1MAPTATMSMN1; SMN2
SCHEMBL924866 0.81 NAMPT (0.55) RAB9ANPC1MAPTATMSMN1; SMN2
SCHEMBL15361982 0.76 RAB9A (0.52) RAB9ANPC1MAPTATMSMN1; SMN2
Hydrochloric Acid SCHEMBL3573666 0.76 RAB9A (0.52) RAB9ANPC1MAPTATMSMN1; SMN2
SCHEMBL3570067 0.76 RAB9A (0.49) RAB9ANPC1MAPTATMSMN1; SMN2
SCHEMBL3153127 0.74 RAB9A (0.60) RAB9ANPC1MAPTATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125787-B1 DERIVATIVES OF N-(HETEROARYL)-1-HETEROARYL-1H-INDOL-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2017-03-01 EP disclosed
US-7868024-B2 Derivatives of N-(heteroaryl)-1-heteroaryl-1H-indole-2-carboxamides, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-20090306143-A1 Derivatives of N-(heteroaryl)-1-heteroaryl-1H-indole-2-carboxamides, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-12-10 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 (1 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-20090306143-A1 Derivatives of N-(heteroaryl)-1-heteroaryl-1H-indole-2-carboxamides, preparation thereof and therapeutic use thereof IDO1, IDO2, KYNU RAB9A 3168/4885NPC1 1252/4885MAPT 3659/4885

“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.