SCHEMBL5128092

SCHEMBL5128092

COc1nc(Nc2ccnc3cc(-c4ncsc4C(F)(F)F)ccc23)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
GAK O14976 4/20 0.39
SYK P43405 2/20 0.37
ALK Q9UM73 2/20 0.36
TGFBR1 P36897 4/20 0.36
KDR P35968 3/20 0.36
RIPK2 O43353 3/20 0.36
EGFR P00533 1/20 0.36
CLK2 P49760 2/20 0.35
HIPK4 Q8NE63 2/20 0.35
SRPK1 Q96SB4 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
STK17A Q9UEE5 2/20 0.35
PLK4 O00444 1/20 0.35
DYRK3 O43781 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35
RET P07949 1/20 0.35
ROS1 P08922 1/20 0.35
FGFR1 P11362 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
SCHEMBL5122104 0.91 TRPV1 (0.46) TRPV1GAKALKTGFBR1KDR
SCHEMBL5115002 0.91 TRPV1 (0.47) TRPV1GAKSYKALKTGFBR1
SCHEMBL5113633 0.86 TRPV1 (0.47) TRPV1GAKSYKALKTGFBR1
SCHEMBL5128177 0.86 TRPV1 (0.42) TRPV1GAKALKTGFBR1KDR
SCHEMBL14209971 0.83 TRPV1 (0.45) TRPV1GAKALKTGFBR1KDR
SCHEMBL5129551 0.83 TRPV1 (0.47) TRPV1GAKSYKALKTGFBR1
SCHEMBL5117810 0.79 TRPV1 (0.67) TRPV1GAKALKTGFBR1KDR
SCHEMBL5113992 0.78 CDK1 (0.44) TRPV1GAKALKTGFBR1KDR
SCHEMBL5128114 0.78 TRPV1 (0.45) TRPV1GAKALKCLK4CDK1
SCHEMBL5118647 0.78 TRPV1 (0.42) TRPV1GAKALKTGFBR1KDR

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-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

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 3214/4885SYK 3529/4885

“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.