SCHEMBL5113633

SCHEMBL5113633

COc1nc(Nc2ccnc3cc(-c4nnsc4C(F)(F)F)ccc23)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.47
GAK O14976 4/20 0.38
KDR P35968 2/20 0.34
CLK2 P49760 2/20 0.34
HIPK4 Q8NE63 2/20 0.34
SRPK1 Q96SB4 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
STK17A Q9UEE5 2/20 0.34
PLK4 O00444 1/20 0.34
DYRK3 O43781 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
RET P07949 1/20 0.34
ROS1 P08922 1/20 0.34
FGFR1 P11362 1/20 0.34
FER P16591 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
CDK2 P24941 1/20 0.34
SYK P43405 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
SCHEMBL5128114 0.91 TRPV1 (0.45) TRPV1GAKCLK4CDK1ACVR1
SCHEMBL5129551 0.91 TRPV1 (0.47) TRPV1GAKKDRCLK2HIPK4
SCHEMBL5121208 0.87 TRPV1 (0.42) TRPV1GAKKDRCDK1AURKB
SCHEMBL5128092 0.86 TRPV1 (0.47) TRPV1GAKKDRCLK2HIPK4
SCHEMBL14209974 0.83 TRPV1 (0.45) TRPV1GAKCLK4ACVR1ALK
SCHEMBL5115002 0.83 TRPV1 (0.47) TRPV1GAKKDRCLK2HIPK4
SCHEMBL5117740 0.79 TRPV1 (0.66) TRPV1GAKKDRCLK2CLK4
SCHEMBL5128138 0.78 CDK1 (0.43) TRPV1GAKKDRCDK1CDK2
SCHEMBL5122104 0.78 TRPV1 (0.46) TRPV1GAKKDRCLK4CDK1
SCHEMBL5117199 0.78 TRPV1 (0.42) TRPV1GAKKDRCDK1AURKB

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 477/4885GAK 3214/4885KDR 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.