SCHEMBL3558059

SCHEMBL3558059

Cc1cnc(NCCn2cccn2)nc1C(C#N)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
STAT3 P40763 2/20 0.33
JAK3 P52333 2/20 0.33
BCDIN3D Q7Z5W3 1/20 0.32
MAPK10 P53779 3/20 0.32
MAPK9 P45984 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
SCN8A Q9UQD0 1/20 0.31
MAPK8 P45983 1/20 0.31
NLRP3 Q96P20 2/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL3566255 0.81 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2MAPK10MAPK9
SCHEMBL3570859 0.78 MAPK10 (0.38) MEN1GAAKMT2ASMN1; SMN2MAPK10
SCHEMBL3562691 0.78 MAPK10 (0.52) MAPK10MAPK9LMNAMAPK8
SCHEMBL3572889 0.76 CCNT1 (0.42) MEN1GAAKMT2ASMN1; SMN2MAPK10
SCHEMBL3565626 0.76 ALDH1A1 (0.41) MEN1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL3566316 0.75 AXL (0.41) MEN1GAAKMT2ASMN1; SMN2SCN8A
SCHEMBL5622159 0.74 TSHR (0.42) MEN1GAAKMT2AMAPK9MAPT
SCHEMBL3569022 0.74 GPR39 (0.41) MEN1KMT2AFLT3TYRO3MERTK
SCHEMBL3572008 0.74 SMN1; SMN2 (0.35) MEN1GAAKMT2ASMN1; SMN2MAPK10
SCHEMBL3562759 0.73 CDK9 (0.40) MEN1GAAKMT2ASMN1; SMN2JAK2

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 MEN1 3686/4885GAA 2009/4885KMT2A 4507/4885

“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.