SCHEMBL3566014

SCHEMBL3566014

Cc1cnc(NC2CCCC(C)C2C)nc1C(C#N)c1ccccn1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
TAS1R2 Q8TE23 2/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 1/20 0.30
HCRTR1 O43613 1/20 0.30
TACR3 P29371 1/20 0.30

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
SCHEMBL3570621 0.84 TACR3 (0.39) ADORA3ADORA2ATAS1R3TAS1R1TAS1R2
SCHEMBL3574026 0.84 CTSK (0.42) GAASMN1; SMN2
SCHEMBL3562759 0.84 CDK9 (0.40) MEN1GAAKMT2ASMN1; SMN2MAPK1
SCHEMBL3571502 0.83 CTSK (0.44) GAA
SCHEMBL3569022 0.77 GPR39 (0.41) SYKMEN1KMT2A
SCHEMBL3572008 0.74 SMN1; SMN2 (0.35) MEN1GAAKMT2ASMN1; SMN2TACR3
Pyridine SCHEMBL3566017 0.71 JAK2 (0.33) SYKTAS1R3TAS1R1MAPK1
SCHEMBL3559302 0.71 TACR3 (0.41) GAATACR3
SCHEMBL3566255 0.71 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL3566316 0.71 AXL (0.41) MEN1GAAKMT2ASMN1; SMN2

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 SYK 823/4885ADORA3 1328/4885ADORA2A 2780/4885

“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.