SCHEMBL5122104

SCHEMBL5122104

CCOc1nc(Nc2ccnc3cc(-c4ncsc4C(F)(F)F)ccc23)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.46
ALK Q9UM73 3/20 0.35
RIPK2 O43353 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
TGFBR1 P36897 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
MAP4K1 Q92918 1/20 0.34
GAK O14976 1/20 0.34
RET P07949 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
ACVR1 Q04771 1/20 0.32
MST1R Q04912 1/20 0.32
TYRO3 Q06418 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
SCN9A Q15858 1/20 0.32
CDK1 P06493 1/20 0.32

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
SCHEMBL5128092 0.91 TRPV1 (0.47) TRPV1ALKRIPK2EGFRKDR
SCHEMBL5113992 0.87 CDK1 (0.44) TRPV1ALKRIPK2EGFRKDR
SCHEMBL5128114 0.87 TRPV1 (0.45) TRPV1ALKPOLBTHRBMAP4K1
SCHEMBL14209971 0.85 TRPV1 (0.45) TRPV1ALKRIPK2EGFRKDR
SCHEMBL5115002 0.82 TRPV1 (0.47) TRPV1ALKRIPK2EGFRKDR
SCHEMBL5113633 0.78 TRPV1 (0.47) TRPV1ALKRIPK2KDRTGFBR1
SCHEMBL5128177 0.78 TRPV1 (0.42) TRPV1ALKRIPK2EGFRKDR
SCHEMBL5117810 0.78 TRPV1 (0.67) TRPV1ALKRIPK2EGFRKDR
SCHEMBL14209972 0.76 TRPV1 (0.41) TRPV1ALKRIPK2EGFRKDR
SCHEMBL5129551 0.74 TRPV1 (0.47) TRPV1ALKRIPK2KDRTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TRPV1 477/4885ALK 726/4885RIPK2 2195/4885

“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.