SCHEMBL15831741

SCHEMBL15831741

CCCNCc1ccc(C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.62
CYP2A6 P11509 2/20 0.55
SCN8A Q9UQD0 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA9 Q16790 1/20 0.53
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CYP19A1 P11511 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1B Q00975 1/20 0.46
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL2828109 0.89 SCN8A (0.58) LOXL2CYP2A6SCN8ACA12CA1
SCHEMBL29912750 0.88 LOXL2 (0.65) LOXL2CYP2A6SCN8ACA12CA1
SCHEMBL1037055 0.84 LOXL2 (0.67) LOXL2CYP2A6SCN8ACA12CA1
SCHEMBL23879203 0.83 LOXL2 (0.71) LOXL2CYP2A6SCN8ACA12CA1
SCHEMBL16287640 0.81 HRH4 (0.47) LOXL2SCN8AHRH4HRH3SMN1; SMN2
SCHEMBL27596087 0.81 LOXL2 (0.57) LOXL2CYP2A6SCN8ACA12CA1
SCHEMBL23145766 0.81 LOXL2 (0.57) LOXL2CYP2A6SCN8ACA12CA1
SCHEMBL25389992 0.81 LOXL2 (0.57) LOXL2CYP2A6SCN8ACA12CA1
SCHEMBL509459 0.81 LOXL2 (0.57) LOXL2CYP2A6SCN8ACA12CA1
SCHEMBL2207581 0.81 SCN8A (0.51) LOXL2CYP2A6SCN8ACA12CA1

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
WO-2021061898-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS NOVARTIS AG (CH) 2021-04-01 WO disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 US 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 LOXL2 3726/4885CYP2A6 3159/4885SCN8A 2569/4885

“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.