SCHEMBL3571502

SCHEMBL3571502

Cc1cnc(NC2CCCCC2)nc1C(C#N)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
FLT3 P36888 2/20 0.42
TYRO3 Q06418 2/20 0.42
MERTK Q12866 2/20 0.42
GAS6 Q14393 2/20 0.42
AXL P30530 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
GPR39 O43194 2/20 0.40
MAPK10 P53779 1/20 0.39
CDK1 P06493 3/20 0.38
CDK4 P11802 3/20 0.38
CCNB1 P14635 3/20 0.38
CCNA2 P20248 3/20 0.38
CCND1 P24385 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37

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
SCHEMBL3574026 0.99 CTSK (0.42) CTSKFLT3TYRO3MERTKGAS6
SCHEMBL3562759 0.95 CDK9 (0.40) CTSKFLT3TYRO3MERTKGAS6
SCHEMBL3569022 0.85 GPR39 (0.41) FLT3TYRO3MERTKGAS6AXL
SCHEMBL3566014 0.83 SYK (0.32) GAA
SCHEMBL3566343 0.81 CTSK (0.54) CTSKFLT3TYRO3MERTKGAS6
SCHEMBL3559302 0.81 TACR3 (0.41) FLT3TYRO3MERTKGAS6KDM4E
SCHEMBL3570899 0.80 CTSK (0.52) CTSKFLT3TYRO3MERTKGAS6
SCHEMBL13572330 0.78 GPR39 (0.44) CTSKKDM4EGAAGPR39
SCHEMBL3572008 0.78 SMN1; SMN2 (0.35) GAAMAPK10CDK7CDK9
SCHEMBL5631964 0.75 CDK4 (0.42) KDM4EGAAMAPK10CDK4CCND1

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 3419/4885FLT3 318/4885TYRO3 295/4885

“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.