SCHEMBL3569016

SCHEMBL3569016

N#CC(c1ccccn1)c1ccnc(NCc2ccco2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 3/20 0.43
MAPK10 P53779 3/20 0.43
KCNH3 Q9ULD8 1/20 0.42
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 7/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 5/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL3565626 0.84 ALDH1A1 (0.41) KCNH3ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL3572139 0.78 MAPK10 (0.48) MAPK9MAPK10ALDH1A1SMN1; SMN2LMNA
SCHEMBL3572975 0.76 MAPK10 (0.42) MAPK9MAPK10SMN1; SMN2LMNATDP1
SCHEMBL3659104 0.73 MAPK10 (0.68) MAPK9MAPK10L3MBTL1KDM4ECYP1A2
SCHEMBL13572064 0.73 CTSK (0.45) MAPK9MAPK10KDM4EGAAMAPK1
SCHEMBL5621930 0.72 MAPK10 (0.42) MAPK9MAPK10SMN1; SMN2LMNAHTT
SCHEMBL5429300 0.71 SLC6A2 (0.48) ALDH1A1SMN1; SMN2LMNAHTTKDM4E
SCHEMBL3570899 0.71 CTSK (0.52) MAPK9MAPK10KDM4EGAAMAPK8
SCHEMBL3566343 0.71 CTSK (0.54) MAPK9MAPK10KDM4EGAAMAPK8
SCHEMBL3574117 0.70 MAPK10 (0.52) MAPK9MAPK10ALDH1A1GAAMAPK8

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 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

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 MAPK9 105/4885MAPK10 86/4885KCNH3 3912/4885

“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.