SCHEMBL3572008

SCHEMBL3572008

Cc1cnc(NC(C)C(C)C)nc1C(C#N)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK9 P45984 2/20 0.34
CSF1R P07333 1/20 0.34
LTK P29376 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
RPS6KA3 P51812 1/20 0.34
CDK5 Q00535 1/20 0.34
PTK2 Q05397 1/20 0.34
CAMK1D Q8IU85 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ALK Q9UM73 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
IDH1 O75874 3/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL3566316 0.84 AXL (0.41) SMN1; SMN2MEN1GAAKMT2ATRPM8
SCHEMBL3562759 0.81 CDK9 (0.40) SMN1; SMN2MEN1GAAKMT2ACDK7
SCHEMBL3565626 0.79 ALDH1A1 (0.41) SMN1; SMN2MEN1GAAKMT2AMAPT
SCHEMBL3574026 0.79 CTSK (0.42) SMN1; SMN2GAACDK7CDK9TRPM8
SCHEMBL3566255 0.78 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AMAPK9MAPK8
SCHEMBL3571502 0.78 CTSK (0.44) GAACDK7CDK9MAPK10
SCHEMBL3569022 0.76 GPR39 (0.41) MEN1KMT2AIDH1
SCHEMBL5622159 0.76 TSHR (0.42) MEN1GAAKMT2AMAPK9CDK5
SCHEMBL3570859 0.75 MAPK10 (0.38) SMN1; SMN2MEN1GAAKMT2AMAPK9
SCHEMBL3562691 0.75 MAPK10 (0.52) MAPK9MAPK8RPS6KA3MAPK10LMNA

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 SMN1; SMN2 3989/4885MEN1 3686/4885GAA 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.