SCHEMBL4523019

SCHEMBL4523019

CN(c1ccncc1)c1ncccc1-c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
KDR P35968 2/20 0.41
SCN2A Q99250 2/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
MAPK14 Q16539 3/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
EPHX2 P34913 1/20 0.40
PIN1 Q13526 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KIT P10721 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4173246 0.83 CLK1 (0.39) NPY5RKDRSCN2AHRH1HRH4
SCHEMBL4181710 0.80 NPY5R (0.44) NPY5RSCN2ANPC1KITCYP3A4
SCHEMBL4185717 0.76 NPY5R (0.46) NPY5RSCN2AHRH1HRH4MAPK14
SCHEMBL4179118 0.75 MAP2K4 (0.37) KDRNPC1RAB9AKDM4EMEN1
SCHEMBL4523015 0.74 KDR (0.72) KDRHRH1HRH4KITKDM4E
SCHEMBL4173247 0.68 HRH1 (0.35) NPY5RKDRSCN2AHRH1HRH4
SCHEMBL4181161 0.67 KDR (0.38) KDRSCN2AHRH1HRH4PIN1
SCHEMBL23657791 0.67 AURKA (0.47) SCN2AHRH1HRH4MAPK14MAPK13
SCHEMBL3110688 0.67 RXFP1 (0.57) KDRMAPK14KITKDM4EMEN1
SCHEMBL4174287 0.66 MAPT (0.41) NPY5RKDRNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 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-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL NPY5R 4592/4885KDR 3284/4885SCN2A 4565/4885

“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.