SCHEMBL3562691

SCHEMBL3562691

Cc1cnc(NCCc2cccnc2)nc1C(C#N)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.52
MAPK8 P45983 2/20 0.52
MAPK9 P45984 2/20 0.52
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42
MKNK1 Q9BUB5 4/20 0.41
MKNK2 Q9HBH9 4/20 0.41
OGA O60502 1/20 0.41
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SGK1 O00141 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 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
SCHEMBL3570859 0.86 MAPK10 (0.38) MAPK10MAPK8MAPK9MKNK1MKNK2
SCHEMBL3566255 0.86 ALDH1A1 (0.41) MAPK10MAPK8MAPK9IGF1RFGFR1
SCHEMBL3572889 0.85 CCNT1 (0.42) MAPK10MAPK8MAPK9IGF1RKDM4E
SCHEMBL3659104 0.84 MAPK10 (0.68) MAPK10MAPK8MAPK9INSRIGF1R
SCHEMBL5617940 0.82 MAPK10 (0.50) MAPK10MAPK8MAPK9INSRIGF1R
SCHEMBL3575426 0.80 MAPK8 (0.50) MAPK10MAPK8MAPK9INSRIGF1R
SCHEMBL5617848 0.80 MAPK8 (0.49) MAPK10MAPK8MAPK9INSRIGF1R
SCHEMBL3558059 0.78 MEN1 (0.34) MAPK10MAPK8MAPK9LMNA
SCHEMBL5622159 0.77 TSHR (0.42) MAPK9KDM4ECTSLRAF1CDK2
SCHEMBL3565626 0.77 ALDH1A1 (0.41) KDM4ENPC1RAB9AL3MBTL1CYP1A2

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 MAPK10 86/4885MAPK8 31/4885MAPK9 105/4885

“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.