SCHEMBL3570859

SCHEMBL3570859

Cc1cnc(NCCc2ccc(N)cc2)nc1C(C#N)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.38
MAPK9 P45984 2/20 0.38
MAPK8 P45983 1/20 0.38
AXL P30530 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
FLT3 P36888 2/20 0.37
GAS6 Q14393 1/20 0.37
STAT6 P42226 5/20 0.35
MKNK1 Q9BUB5 3/20 0.35
MKNK2 Q9HBH9 3/20 0.35
HTR7 P34969 2/20 0.34
GBA1 P04062 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FCGR3B O75015 1/20 0.32
FCGR1A P12314 1/20 0.32
FCGR2A P12318 1/20 0.32

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
SCHEMBL3572889 0.89 CCNT1 (0.42) MAPK10MAPK9MAPK8MEN1GAA
SCHEMBL3562691 0.86 MAPK10 (0.52) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL3566255 0.86 ALDH1A1 (0.41) MAPK10MAPK9MAPK8HTR7MEN1
SCHEMBL5622159 0.79 TSHR (0.42) MAPK9MEN1GAAKMT2A
SCHEMBL3558059 0.78 MEN1 (0.34) MAPK10MAPK9MAPK8AXLTYRO3
SCHEMBL3565626 0.77 ALDH1A1 (0.41) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL3569022 0.75 GPR39 (0.41) AXLTYRO3MERTKFLT3GAS6
SCHEMBL3572008 0.75 SMN1; SMN2 (0.35) MAPK10MAPK9MAPK8MEN1GAA
SCHEMBL3562759 0.74 CDK9 (0.40) AXLTYRO3MERTKFLT3GAS6
SCHEMBL3566316 0.73 AXL (0.41) AXLTYRO3MERTKFLT3MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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

“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.