SCHEMBL3781770

SCHEMBL3781770

CC[C@H](O)Cc1nc(Nc2cc(F)c(F)c(F)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 12/20 0.33
▸ JAK2 O60674 4/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ CDK4 P11802 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPK3 P27361 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
SCHEMBL3434426 1.00 MAPK1 (0.33) MAPK1JAK2P2RX7CDK4CDK2
SCHEMBL3770357 0.89 RAPGEF4 (0.30) —
SCHEMBL3433367 0.89 RAPGEF4 (0.30) —
SCHEMBL3781782 0.86 MAPK1 (0.33) MAPK1P2RX7CDK4CDK2
SCHEMBL3435660 0.85 JAK2 (0.37) MAPK1JAK2P2RX7CDK4CDK2
SCHEMBL3783059 0.85 JAK2 (0.37) MAPK1JAK2P2RX7CDK4CDK2
SCHEMBL10009558 0.82 MAPK1 (0.34) MAPK1P2RX7
SCHEMBL27982242 0.82 MAPK1 (0.34) MAPK1P2RX7
SCHEMBL10009796 0.82 MAPK1 (0.34) MAPK1P2RX7
SCHEMBL3777850 0.81 GSK3B (0.46) JAK2CDK4CDK2GSK3BCYP3A4

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
CN-102066343-B Trisubstituted 1,2, 4-triazoles as nicotinic acetylcholine receptor modulators JANSSEN PHARMACEUTICA NV 2013-12-04 — — CN 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 MAPK1 1845/4885JAK2 2568/4885P2RX7 83/4885

“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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