SCHEMBL1860108

SCHEMBL1860108

COCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)O)cc3Cl)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.42
MAPK1 P28482 1/20 0.32
PIK3CA P42336 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
MRGPRX4 Q96LA9 3/20 0.31
MAOA P21397 1/20 0.31
KCNH2 Q12809 1/20 0.31
RXRA P19793 1/20 0.31
HIF1A Q16665 2/20 0.31
MAPK3 P27361 1/20 0.31

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
SCHEMBL1864536 0.89 TRPV1 (0.49) TRPV1MRGPRX4MAOAKCNH2MAPK3
SCHEMBL1863118 0.89 TRPV1 (0.44) TRPV1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL1863373 0.87 TRPV1 (0.46) TRPV1MAOAKCNH2MAPK3
SCHEMBL1858042 0.85 TRPV1 (0.41) TRPV1MRGPRX4
SCHEMBL1859475 0.85 TRPV1 (0.42) TRPV1MRGPRX4
SCHEMBL1860932 0.81 TRPV1 (0.45) TRPV1MAOAKCNH2MAPK3
SCHEMBL1862806 0.79 TRPV1 (0.35) TRPV1MRGPRX4MAOAKCNH2
SCHEMBL1866320 0.79 TRPV1 (0.59) TRPV1MRGPRX4MAOAKCNH2
SCHEMBL1867816 0.76 TRPV1 (0.49) TRPV1MRGPRX4MAOAKCNH2MAPK3
SCHEMBL1862452 0.75 TRPV1 (0.46) TRPV1MRGPRX4MAOAKCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
EP-1811845-A4 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORP (US) 2009-07-15 EP disclosed
EP-1811845-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2007-08-01 EP disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 US disclosed
WO-2006042289-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-20 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-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues PIGS, GPR52, GPR174 TRPV1 549/4885MAPK1 3423/4885PIK3CA 2073/4885

“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.