SCHEMBL4151636

SCHEMBL4151636

COC(=O)c1cnc(N(C)C)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
CFTR P13569 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NOTUM Q6P988 2/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL3936860 0.83 ASPH (0.49) MEN1KMT2AGAAKDM4ENOTUM
SCHEMBL12302078 0.81 MAPT (0.55) MAPTCFTRMEN1KMT2AKDM4E
SCHEMBL15038347 0.79 MAPT (0.60) MAPTCFTRGAAKDM4ENOTUM
SCHEMBL1819192 0.79 MAPT (0.53) MAPTCFTRMEN1KMT2AKDM4E
SCHEMBL473983 0.79 MAPT (0.60) MAPTCFTRMEN1KMT2AGAA
SCHEMBL3780170 0.79 MAPT (0.63) MAPTCFTRMEN1KMT2AGAA
SCHEMBL6377058 0.77 MAPT (0.51) MAPTCFTRMEN1KMT2AKDM4E
SCHEMBL13080475 0.74 CYP1A2 (0.38) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1110884 0.73 CFTR (0.48) MAPTCFTRMEN1KMT2AGAA
SCHEMBL4925877 0.73 CFTR (0.47) MAPTCFTRGAAKDM4ENOTUM

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 4 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
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 MAPT 2838/4885CFTR 2757/4885MEN1 1577/4885
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO1, IDO2, CNKSR1 MAPT 3749/4885CFTR 3059/4885MEN1 2402/4885

“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.