SCHEMBL4989840

SCHEMBL4989840

CCc1cc(Nc2ncc(C(F)(F)F)cn2)c2ncc(-c3nnccc3C(F)(F)F)nc2n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.48
MAOA P21397 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK3 P27361 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL4990663 0.83 TRPV1 (0.45) TRPV1MAOAKCNH2MAPK3LRRK2
SCHEMBL4989164 0.81 TRPV1 (0.56) TRPV1MAOAKCNH2MAPK3
SCHEMBL4993937 0.78 TRPV1 (0.60) TRPV1MAPK3
SCHEMBL14134930 0.77 TRPV1 (0.36) TRPV1MAOAKCNH2
SCHEMBL4990699 0.77 TRPV1 (0.54) TRPV1MAOAKCNH2MAPK3
SCHEMBL4986959 0.76 TRPV1 (0.78) TRPV1MAPK3
SCHEMBL5117359 0.76 TRPV1 (0.38) TRPV1MAOAKCNH2
SCHEMBL4990296 0.75 TRPV1 (0.50) TRPV1MAPK3LRRK2
SCHEMBL4994198 0.73 TRPV1 (0.44) TRPV1MAOAKCNH2
SCHEMBL4991837 0.73 TRPV1 (0.76) 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-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 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-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues PIGS, HRH4, GPR68 TRPV1 199/4885MAOA 1216/4885KCNH2 2693/4885

“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.