SCHEMBL4559776

SCHEMBL4559776

NCc1ccc(Cl)cc1-c1ccc(Cc2c[nH]c3ncc(Br)cc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.44
CYP2C19 P33261 5/20 0.44
CYP2D6 P10635 1/20 0.43
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
NTRK3 Q16288 2/20 0.41
AURKB Q96GD4 2/20 0.41
CSF1R P07333 2/20 0.41
LCK P06239 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
PDGFRB P09619 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KIT P10721 1/20 0.41
CHRM1 P11229 1/20 0.41
PDGFRA P16234 1/20 0.41
DRD1 P21728 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
SCHEMBL27708286 0.85 CYP2C19 (0.42) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL3836500 0.76 MEN1 (0.41) CYP3A4CYP2D6CYP1A2
SCHEMBL858770 0.76 FLT1 (0.42) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL857477 0.75 CYP3A4 (0.69) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL4590754 0.74 CYP3A4 (0.46) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL27708327 0.73 CYP3A4 (0.58) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL28685666 0.71 MET (0.51) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL4560141 0.71 CSF1R (0.60) CYP3A4CYP2C19FLT1KDRFLT3
SCHEMBL858264 0.70 IDO1 (0.39) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL15102137 0.69 CYP3A4 (0.63) CYP3A4CYP2C19CYP2D6FLT1KDR

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
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 US disclosed
EP-1885723-A2 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-02-13 EP disclosed
WO-2007013896-A2 PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-02-01 WO 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-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor KIT, FLT3, FLT1 CYP3A4 3847/4885CYP2C19 3327/4885CYP2D6 3987/4885

“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.