SCHEMBL5123002

SCHEMBL5123002

COc1nc(Nc2ccnc3nc(-c4ncsc4Cl)cnc23)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.49
MAOA P21397 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK3 P27361 1/20 0.35
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL5113906 0.90 TRPV1 (0.51) TRPV1MAOAKCNH2MAPK3MAP4K1
SCHEMBL5122434 0.88 TRPV1 (0.42) TRPV1MAOAKCNH2MAPK3
SCHEMBL5127446 0.87 TRPV1 (0.50) TRPV1MAOAKCNH2MAPK3
SCHEMBL5122076 0.86 TRPV1 (0.53) TRPV1MAPK3
SCHEMBL4988496 0.83 TRPV1 (0.53) TRPV1MAOAKCNH2MAPK3
SCHEMBL5113950 0.81 TRPV1 (0.66) TRPV1MAOAKCNH2MAPK3
SCHEMBL1863800 0.78 TRPV1 (0.73) TRPV1MAOAKCNH2MAPK3
SCHEMBL14209964 0.78 TRPV1 (0.44) TRPV1MAOAKCNH2MAPK3
SCHEMBL5124818 0.77 TRPV1 (0.50) TRPV1MAOAKCNH2MAPK3
SCHEMBL12629641 0.77 TRPV1 (0.56) TRPV1MAOAKCNH2MAPK3

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 477/4885MAOA 642/4885KCNH2 2287/4885

“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.