SCHEMBL4158624

SCHEMBL4158624

CN(C)c1ccc(NC(=O)c2cc3ccc(F)cc3n2Cc2cccc(F)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.45
MAOB P27338 1/20 0.45
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
CCR2 P41597 1/20 0.42
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ECE1 P42892 4/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
F10 P00742 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL4150411 0.93 F10 (0.47) PTGDR2MAOBCXCR1CXCR2CCR2
Hydrochloric Acid SCHEMBL4143378 0.92 F10 (0.47) PTGDR2MAOBCXCR1CXCR2CCR2
SCHEMBL942166 0.88 F10 (0.44) PTGDR2MAOBCXCR1CXCR2PIK3CA
SCHEMBL4150551 0.87 PPARG (0.46) CCR2GRIN1GRIN2BECE1F10
SCHEMBL4151209 0.86 ECE1 (0.50) PTGDR2CCR2ECE1F10TRPV1
SCHEMBL4151515 0.84 MAPT (0.48) PTGDR2MAOBCCR2PIK3CAMTOR
SCHEMBL1101510 0.84 CXCR1 (0.40) MAOBCXCR1CXCR2PIK3CAMTOR
SCHEMBL2899821 0.82 KCNQ3 (0.47) PTGDR2MAOBCCR2MAPT
SCHEMBL2899159 0.82 DGAT1 (0.43) PTGDR2MAOBGRIN1GRIN2BMAPT
SCHEMBL4143406 0.79 F10 (0.45) PTGDR2CCR2GRIN1GRIN2BECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481745-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, preparation thereof and therapeutic use therof SANOFI (FR) 2013-07-09 US disclosed
US-20120264944-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEROF SANOFI (FR) 2012-10-18 US disclosed
EP-2046775-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-08-22 EP disclosed
US-8227489-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-07-24 US disclosed
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 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 (2 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-20120264944-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEROF IDO2, IDO1, IKZF3 PTGDR2 1613/4885MAOB 415/4885CXCR1 553/4885
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO1, IDO2, CNKSR1 PTGDR2 871/4885MAOB 94/4885CXCR1 196/4885

“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.