SCHEMBL6473759

SCHEMBL6473759

FC(F)(F)c1ccc(Nc2cc(-c3ccc4nc[nH]c4c3)ncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.62
▸ BCR P11274 8/20 0.62
▸ TRPV1 Q8NER1 4/20 0.55
▸ MAPT P10636 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ P2RY14 Q15391 1/20 0.47
▸ QPCT Q16769 3/20 0.46
▸ S1PR1 P21453 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL4832960 0.83 ABL1 (0.72) ABL1BCRTRPV1MEN1USP2
SCHEMBL6033075 0.80 MAPT (0.52) MAPTCDK1P2RY14QPCTS1PR1
SCHEMBL4837361 0.79 ABL1 (0.74) ABL1BCRTRPV1S1PR1MEN1
SCHEMBL4837497 0.78 TRPV1 (0.76) ABL1BCRTRPV1MEN1USP2
SCHEMBL15534046 0.78 ABL1 (0.68) ABL1BCRTRPV1MAPTMEN1
SCHEMBL1016320 0.78 ABL1 (0.76) ABL1BCRTRPV1MEN1USP2
SCHEMBL1013728 0.78 ABL1 (0.76) ABL1BCRTRPV1MEN1USP2
SCHEMBL12943121 0.77 ABL1 (1.00) ABL1BCRTRPV1MEN1USP2
SCHEMBL1012574 0.77 ABL1 (0.75) ABL1BCRTRPV1MAPTMEN1
SCHEMBL4832759 0.76 TRPV1 (0.87) ABL1BCRTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 — — US claimed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 — — 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-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 ABL1 989/4885BCR 1760/4885TRPV1 11/4885

“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.

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