SCHEMBL2540801

SCHEMBL2540801

CCN(CC)CC(=O)Nc1nc2cc(F)c(Sc3cnc4ncccn34)cc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.35
WNT3A P56704 2/20 0.35
MAPT P10636 6/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
OPRK1 P41145 2/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2543283 0.86 RAB9A (0.41) PKMALDH1A1TSHRMAPTKMT2A
SCHEMBL2541330 0.84 SMN1; SMN2 (0.39) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL2539010 0.83 CLK1 (0.47) ALDH1A1TSHRPIK3CASMN1; SMN2POLB
SCHEMBL2548141 0.83 ACHE (0.43) ALDH1A1CYP3A4CYP2D6CYP2C9RAB9A
SCHEMBL2547077 0.83 SMN1; SMN2 (0.36) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL2546957 0.82 NPC1 (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2541916 0.82 USP2 (0.39) ALDH1A1TSHRSMN1; SMN2POLBLMNA
SCHEMBL2537528 0.82 CSNK1D (0.38) ALDH1A1WNT3AMAPTKMT2AMEN1
SCHEMBL2540218 0.82 USP2 (0.41) ALDH1A1TSHRSMN1; SMN2POLBLMNA
SCHEMBL2546977 0.82 TRPV1 (0.38) ALDH1A1TSHRMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263593-A1 NOVEL IMIDAZO[1,2-a]PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE, IN PARTICULAR AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-27 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-20110263593-A1 NOVEL IMIDAZO[1,2-a]PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE, IN PARTICULAR AS MET INHIBITORS TPMT, MET, PAICS PKM 1487/4885ALDH1A1 250/4885TSHR 2489/4885

“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.