SCHEMBL3779354

SCHEMBL3779354

CC[C@H](O)Cc1nc(Nc2cc(Cl)cc(OC)c2)nn1-c1cc(C)nc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.33
▸ NPY1R P25929 2/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ RECQL P46063 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ F2R P25116 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
SCHEMBL3435554 0.89 SRC (0.33) SRCLMNAMAPTIGF1RSMN1; SMN2
SCHEMBL3776106 0.89 SRC (0.33) SRCLMNAMAPTIGF1RSMN1; SMN2
SCHEMBL3770357 0.81 RAPGEF4 (0.30) —
SCHEMBL3433367 0.81 RAPGEF4 (0.30) —
SCHEMBL3435660 0.80 JAK2 (0.37) SRCLMNAMAPK1
SCHEMBL3783059 0.80 JAK2 (0.37) SRCLMNAMAPK1
SCHEMBL8018216 0.78 GSK3B (0.46) SRC
SCHEMBL3777850 0.78 GSK3B (0.46) SRC
SCHEMBL3431969 0.74 TP53 (0.31) —
SCHEMBL3776117 0.74 TP53 (0.31) —

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
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 SRC 1915/4885NPY1R 491/4885CRHR1 928/4885

“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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