SCHEMBL3570899

SCHEMBL3570899

N#CC(c1ccccn1)c1ccnc(NC2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.52
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
TACR3 P29371 1/20 0.43
RET P07949 1/20 0.41
MAPK9 P45984 3/20 0.41
MAPK10 P53779 3/20 0.41
CCNB2 O95067 3/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CCNB3 Q8WWL7 3/20 0.41
MAPK8 P45983 2/20 0.41
FLT3 P36888 2/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
INSR P06213 1/20 0.41

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
SCHEMBL3566343 0.99 CTSK (0.54) CTSKKDM4EGAATACR3RET
SCHEMBL13572064 0.95 CTSK (0.45) CTSKKDM4EGAATACR3RET
SCHEMBL13572330 0.84 GPR39 (0.44) CTSKKDM4EGAAGPR39
SCHEMBL3573946 0.81 CTSK (0.53) CTSKKDM4EGAARETMAPK9
SCHEMBL3570621 0.81 TACR3 (0.39) CTSKTACR3RETMAPK9MAPK10
SCHEMBL3574026 0.81 CTSK (0.42) CTSKKDM4EGAAMAPK10CDK1
SCHEMBL3571502 0.80 CTSK (0.44) CTSKKDM4EGAAMAPK10CDK1
SCHEMBL5423634 0.79 KDM4E (0.46) CTSKKDM4EGAARETMAPK9
SCHEMBL3569987 0.77 MEN1 (0.43) CTSKKDM4EGAACDC7GPR39
SCHEMBL3562759 0.75 CDK9 (0.40) CTSKGAAFLT3JAK2TYK2

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 CTSK 3419/4885KDM4E 3155/4885GAA 2009/4885

“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.