SCHEMBL925883

SCHEMBL925883

Cc1ccnc(-n2c(C(=O)Nc3ccc4c(ccn4C)c3)cc3cc(F)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR2B P41595 3/20 0.43
NOTUM Q6P988 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL926859 0.88 GRM4 (0.49) HTR2CHTR2BNOTUMMAPTMEN1
SCHEMBL924864 0.88 HTR2C (0.44) HTR2CHTR2BNOTUMMAPTMEN1
SCHEMBL925056 0.85 HTR2C (0.46) HTR2CHTR2BNOTUMMAPTMEN1
SCHEMBL925877 0.84 RAB9A (0.52) MAPTTP53CYP1A2CYP2C19KDM4E
SCHEMBL925236 0.83 HTR2B (0.47) HTR2CHTR2BNOTUMMAPTMEN1
SCHEMBL925357 0.80 HTR2B (0.57) HTR2CHTR2BNOTUMMAPTMEN1
SCHEMBL4656319 0.75 ECE1 (0.50) HTR2CHTR2BNOTUMMAPTMEN1
SCHEMBL3563638 0.75 MAOB (0.44) HTR2CHTR2BNOTUMMAPTMEN1
SCHEMBL4655408 0.75 PLA2G10 (0.48) HTR2CHTR2BNOTUMMAPTMEN1
SCHEMBL4656230 0.75 ECE1 (0.60) NOTUMMAPTKDM4ETHRBMAPK1

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 HTR2C 31/4885HTR2B 57/4885NOTUM 3343/4885

“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.