SCHEMBL4095444

SCHEMBL4095444

CCN1CCc2cccc(Nc3nc(Cl)ncc3Cl)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.39
MAP4K1 Q92918 4/20 0.39
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNK O75909 2/20 0.38
CCND3 P30281 2/20 0.38
CDK9 P50750 2/20 0.38
CDK6 Q00534 2/20 0.38
MAP3K7 O43318 2/20 0.37
AXL P30530 2/20 0.36
INSR P06213 2/20 0.36
MAPK1 P28482 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL375361 0.89 CCNA2 (0.37) ALKMAP4K1CCNA2CDK2CCNK
SCHEMBL13849422 0.89 CCNA2 (0.42) ALKMAP4K1CCNA2CDK2CCNK
SCHEMBL4100833 0.86 MAP4K1 (0.41) ALKMAP4K1CCNA2CDK2CCNK
SCHEMBL375741 0.79 LRRK2 (0.44) ALKMAP4K1CCNA2CDK2CCNK
SCHEMBL30942601 0.79 CCNK (0.41) ALKMAP4K1CCNA2CDK2CCNK
SCHEMBL30141686 0.79 CCNA2 (0.41) ALKMAP4K1CCNA2CDK2CCNK
SCHEMBL12311868 0.78 LRRK2 (0.42) ALKMAP4K1CCNA2CDK2CCNK
SCHEMBL13849430 0.77 CCNK (0.41) ALKMAP4K1CCNA2CDK2CCNK
SCHEMBL4105435 0.77 ALK (0.68) ALKCDK2INSRMAPK1MET
SCHEMBL25014390 0.75 CDK9 (0.40) ALKMAP4K1CCNA2CDK2CCNK

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
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO disclosed

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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ALK 2060/4885MAP4K1 2520/4885CCNA2 289/4885

“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.