SCHEMBL5113992

SCHEMBL5113992

CCOc1nc(Nc2ccnc3cc(-c4ncsc4C(F)(F)F)ccc23)ncc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.44
TRPV1 Q8NER1 9/20 0.41
KDR P35968 3/20 0.35
ALK Q9UM73 1/20 0.35
RIPK2 O43353 1/20 0.35
EGFR P00533 1/20 0.35
TGFBR1 P36897 1/20 0.35
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
MAP4K1 Q92918 1/20 0.34
CDK2 P24941 2/20 0.33
GAK O14976 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL5128177 0.91 TRPV1 (0.42) CDK1TRPV1KDRALKRIPK2
SCHEMBL5128138 0.87 CDK1 (0.43) CDK1TRPV1KDRALKPOLB
SCHEMBL5122104 0.87 TRPV1 (0.46) CDK1TRPV1KDRALKRIPK2
SCHEMBL14209972 0.85 TRPV1 (0.41) TRPV1KDRALKRIPK2EGFR
SCHEMBL5118647 0.82 TRPV1 (0.42) TRPV1KDRALKRIPK2EGFR
SCHEMBL5128632 0.80 TRPV1 (0.51) TRPV1KDRALKRIPK2EGFR
SCHEMBL5121208 0.78 TRPV1 (0.42) CDK1TRPV1KDRGAKAURKA
SCHEMBL5128092 0.78 TRPV1 (0.47) CDK1TRPV1KDRALKRIPK2
SCHEMBL14209971 0.76 TRPV1 (0.45) TRPV1KDRALKRIPK2EGFR
SCHEMBL5117199 0.75 TRPV1 (0.42) CDK1TRPV1KDRGAKAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954133-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2008-08-13 EP disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
EP-1836203-A2 HETEROARYL SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2007-09-26 EP disclosed
WO-2007065093-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 WO disclosed
WO-2006076646-A2 HETEROARYL SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-07-20 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-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 CDK1 4019/4885TRPV1 477/4885KDR 336/4885

“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.