SCHEMBL926859

SCHEMBL926859

Cn1ccc2cc(NC(=O)c3cc4cc(F)ccc4n3-c3ccccn3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.49
HTR2C P28335 4/20 0.46
HTR2B P41595 3/20 0.46
NOTUM Q6P988 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
RECQL P46063 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOB P27338 4/20 0.41
ECE1 P42892 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL925883 0.88 HTR2C (0.43) GRM4HTR2CHTR2BNOTUMMEN1
SCHEMBL925236 0.83 HTR2B (0.47) GRM4HTR2CHTR2BNOTUMMEN1
SCHEMBL924944 0.83 RAB9A (0.55) MAPTTP53CYP1A2CYP2C19KDM4E
SCHEMBL924864 0.83 HTR2C (0.44) HTR2CHTR2BNOTUMMEN1KMT2A
SCHEMBL925056 0.82 HTR2C (0.46) GRM4HTR2CHTR2BNOTUMMEN1
SCHEMBL925357 0.82 HTR2B (0.57) GRM4HTR2CHTR2BNOTUMMEN1
SCHEMBL4656319 0.80 ECE1 (0.50) GRM4HTR2CHTR2BNOTUMMEN1
SCHEMBL4655408 0.78 PLA2G10 (0.48) HTR2CHTR2BNOTUMMEN1KMT2A
SCHEMBL4657644 0.77 ECE1 (0.52) NOTUMECE1PTGDR2
SCHEMBL4656147 0.77 ECE1 (0.55) NOTUMECE1TSHRPTGDR2ALDH1A1

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 GRM4 799/4885HTR2C 31/4885HTR2B 57/4885

“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.