SCHEMBL3781709

SCHEMBL3781709

Cc1cc([N+]2(C3CC3)N=C(Nc3cccc(OC(F)(F)F)c3)N=C2CC(N)=O)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ GALR2 O43603 2/20 0.37
▸ GALR1 P47211 2/20 0.37
▸ EGFR P00533 3/20 0.36
▸ ITK Q08881 2/20 0.36
▸ KDR P35968 5/20 0.35
▸ BRAF P15056 2/20 0.35
▸ SYK P43405 2/20 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
SCHEMBL3776918 0.78 SYK (0.37) BRAFSYK
SCHEMBL3781700 0.63 PDE4B (0.41) GALR2GALR1EGFRITKSYK
SCHEMBL10009094 0.63 GALR2 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL1506088 0.61 GALR2 (0.42) GALR2GALR1BRAFSYK
SCHEMBL1505927 0.60 SYK (0.42) GALR2GALR1BRAFSYK
SCHEMBL167677 0.60 ALDH1A1 (0.63) —
SCHEMBL6685564 0.60 EPHX1 (0.52) —
SCHEMBL1505762 0.59 GALR2 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL5079791 0.59 KDM5A (0.52) KDRSYK
SCHEMBL2095975 0.58 ALDH1A1 (0.60) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US claimed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP claimed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US claimed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE CYP3A4 269/4885CYP2D6 1185/4885CYP2C9 708/4885

“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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