SCHEMBL3575426

SCHEMBL3575426

CNc1nc(NCCc2cccnc2)nc(C(C#N)c2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.50
MAPK9 P45984 2/20 0.50
MAPK10 P53779 2/20 0.50
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
OGA O60502 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PKM P14618 1/20 0.38
RAD52 P43351 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SGK1 O00141 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
RAF1 P04049 1/20 0.36
SRC P12931 1/20 0.36
CCNA2 P20248 1/20 0.36

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
SCHEMBL3659104 0.82 MAPK10 (0.68) MAPK8MAPK9MAPK10CYP1A2CYP2D6
SCHEMBL3562691 0.80 MAPK10 (0.52) MAPK8MAPK9MAPK10CYP1A2CYP2D6
SCHEMBL3569491 0.75 MAPK8 (0.46) MAPK8MAPK9MAPK10CYP1A2CYP2D6
SCHEMBL3574117 0.71 MAPK10 (0.52) MAPK8MAPK9MAPK10OGAMKNK1
SCHEMBL3562692 0.70 MAPK10 (0.67) MAPK8MAPK9MAPK10OGAMKNK1
SCHEMBL3566255 0.67 ALDH1A1 (0.41) MAPK8MAPK9MAPK10CYP1A2OGA
SCHEMBL14869419 0.67 APP (0.65) L3MBTL1KCNH3ADORA1CA1CA2
SCHEMBL3572139 0.67 MAPK10 (0.48) MAPK8MAPK9MAPK10CYP1A2OGA
SCHEMBL3562914 0.67 MAPK8 (0.37) MAPK8MAPK9MAPK10CYP1A2CYP2D6
SCHEMBL21067982 0.67 MAPK10 (1.00) MAPK8MAPK9MAPK10OGAMKNK1

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
EP-1633363-B1 PYRIDINYL ACETONITRILES MERCK SERONO SA (CH) 2012-11-07 EP disclosed
US-7855212-B2 Pyridinyl acetonitriles MERCK SERONO SA (CH) 2010-12-21 US disclosed
US-20070060594-A1 Pyridinyl acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-03-15 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-20070060594-A1 Pyridinyl acetonitriles GSK3B, GSK3A, MAPK3 MAPK8 31/4885MAPK9 105/4885MAPK10 86/4885

“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.