SCHEMBL3781782

SCHEMBL3781782

CC[C@H](O)Cc1nc(Nc2ccc(F)c(F)c2F)nn1-c1ccnc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.33
▸ P2RX7 Q99572 2/20 0.32
▸ CDK4 P11802 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL3776117 0.90 TP53 (0.31) —
SCHEMBL3431969 0.90 TP53 (0.31) —
SCHEMBL3434426 0.86 MAPK1 (0.33) MAPK1P2RX7CDK4CDK2
SCHEMBL3781770 0.86 MAPK1 (0.33) MAPK1P2RX7CDK4CDK2
SCHEMBL10009653 0.82 MAPK1 (0.33) MAPK1P2RX7CDK4CDK2
SCHEMBL10009095 0.82 MAPK1 (0.33) MAPK1P2RX7CDK4CDK2
SCHEMBL27981741 0.82 MAPK1 (0.33) MAPK1P2RX7CDK4CDK2
SCHEMBL3428599 0.81 LMNA (0.30) —
SCHEMBL3768259 0.81 LMNA (0.30) —
SCHEMBL3783059 0.78 JAK2 (0.37) MAPK1P2RX7CDK4CDK2

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
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

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 1845/4885P2RX7 83/4885CDK4 2981/4885

“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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