SCHEMBL5115002

SCHEMBL5115002

COc1nc(Nc2ccnc3cc(-c4ncsc4C)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 3/20 0.39
SYK P43405 2/20 0.37
ALK Q9UM73 2/20 0.36
KDR P35968 3/20 0.36
TGFBR1 P36897 3/20 0.36
RIPK2 O43353 2/20 0.36
EGFR P00533 1/20 0.36
RET P07949 2/20 0.35
LCK P06239 2/20 0.35
MAPK14 Q16539 1/20 0.35
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

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) TRPV1GAKSYKALKKDR
SCHEMBL5129551 0.86 TRPV1 (0.47) TRPV1GAKSYKALKKDR
SCHEMBL5118647 0.86 TRPV1 (0.42) TRPV1GAKALKKDRTGFBR1
SCHEMBL5113633 0.83 TRPV1 (0.47) TRPV1GAKSYKALKKDR
SCHEMBL5122104 0.82 TRPV1 (0.46) TRPV1GAKALKKDRTGFBR1
SCHEMBL5117433 0.80 TRPV1 (0.66) TRPV1GAKALKKDRTGFBR1
SCHEMBL5128177 0.78 TRPV1 (0.42) TRPV1GAKALKKDRTGFBR1
SCHEMBL5125014 0.76 TRPV1 (0.50) TRPV1GAKALKKDRTGFBR1
SCHEMBL5122076 0.74 TRPV1 (0.53) TRPV1
SCHEMBL14209971 0.74 TRPV1 (0.45) TRPV1GAKALKKDRTGFBR1

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
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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 (2 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 TRPV1 4513/4885GAK 1855/4885SYK 174/4885
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.