SCHEMBL3770391

SCHEMBL3770391

CCNC(=O)Cc1nc(Nc2cccc(Cl)c2F)nn1-c1cc(C)nc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 6/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ P2RX7 Q99572 6/20 0.36
▸ MAPT P10636 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CD38 P28907 1/20 0.34

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
SCHEMBL1506153 0.83 RIPK1 (0.39) RIPK1ERBB2P2RX7MAPTCD38
SCHEMBL3773575 0.79 KCNJ6 (0.37) P2RX7MAPTKDM4E
SCHEMBL1506082 0.75 P2RX7 (0.45) RIPK1ERBB2P2RX7
SCHEMBL3782940 0.74 ULK1 (0.41) P2RX7P2RX3CD38
SCHEMBL1506045 0.73 CYP1A2 (0.40) RIPK1ERBB2P2RX7MAPTKDM4E
SCHEMBL3774598 0.73 CYP1A2 (0.41) MAPTP2RX3KDM4E
SCHEMBL1506203 0.72 RIPK1 (0.44) RIPK1MAPTP2RX3CD38
SCHEMBL10011414 0.71 KMT2A (0.40) RIPK1ERBB2P2RX7CD38
SCHEMBL1506292 0.70 RIPK1 (0.39) RIPK1MAPTP2RX3CD38
SCHEMBL3032270 0.67 LMNA (0.39) RIPK1P2RX3KDM4ECD38

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 5 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
CN-102066343-A Trisubstituted 1,2, 4-triazoles as nicotinic acetylcholine receptor modulators JANSSEN PHARMACEUTICA NV 2011-05-18 — — CN 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 RIPK1 2991/4885ERBB2 740/4885P2RX7 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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