SCHEMBL3569491

SCHEMBL3569491

N#CC(c1ccccn1)c1cc(NCCc2cccnc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 7/20 0.41
CLK4 Q9HAZ1 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2C19 P33261 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 4/20 0.39
HTR7 P34969 2/20 0.39
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
ALOX15 P16050 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 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 0.80 MAPK10 (0.68) MAPK8MAPK9MAPK10CYP1A2KDM4E
SCHEMBL5618220 0.78 MAPK8 (0.44) MAPK8MAPK9MAPK10CYP1A2CYP3A4
SCHEMBL3575426 0.75 MAPK8 (0.50) MAPK8MAPK9MAPK10CYP1A2KDM4E
SCHEMBL3562691 0.75 MAPK10 (0.52) MAPK8MAPK9MAPK10CYP1A2KDM4E
SCHEMBL27535607 0.73 CYP1A2 (0.58) CYP1A2CYP2C19ALDH1A1KDM4ENPC1
SCHEMBL21593125 0.72 CYP1A2 (0.51) CYP1A2CYP3A4CLK4HSD17B10CYP2C19
SCHEMBL3569987 0.69 MEN1 (0.43) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL5429300 0.68 SLC6A2 (0.48) CYP1A2ALDH1A1KDM4ECYP2D6MEN1
SCHEMBL3562692 0.66 MAPK10 (0.67) MAPK8MAPK9MAPK10KDM4ENPC1
SCHEMBL4775118 0.66 L3MBTL1 (0.47) CYP1A2KDM4ENPC1RAB9AL3MBTL1

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
EP-1633363-B1 PYRIDINYL ACETONITRILES MERCK SERONO SA (CH) 2012-11-07 EP claimed
US-7855212-B2 Pyridinyl acetonitriles MERCK SERONO SA (CH) 2010-12-21 US claimed
US-20070060594-A1 Pyridinyl acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-03-15 US claimed
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.