SCHEMBL2779602

SCHEMBL2779602

CN1CCN(Cc2ccc(NC(=O)N3CCc4cc(Oc5ccnc(Cl)n5)ccc43)cc2C(F)(F)F)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.63
CDK2 P24941 2/20 0.63
CDK1 P06493 1/20 0.63
SRC P12931 7/20 0.55
ABL1 P00519 7/20 0.55
KDR P35968 3/20 0.49
FGFR1 P11362 2/20 0.49
FGFR4 P22455 5/20 0.48
BCR P11274 2/20 0.47
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
CCNC P24863 1/20 0.47
MAP3K7 O43318 2/20 0.47
MAP4K2 Q12851 2/20 0.47
MAPK14 Q16539 2/20 0.47
MAP3K20 Q9NYL2 2/20 0.47
EGFR P00533 2/20 0.47
BRAF P15056 2/20 0.47
KIT P10721 2/20 0.47
STK25 O00506 1/20 0.47

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
SCHEMBL2777199 0.89 SRC (0.54) CDK8CDK2CDK1SRCABL1
SCHEMBL12972326 0.88 CDK8 (0.74) CDK8CDK2CDK1SRCABL1
SCHEMBL12972266 0.87 CDK8 (0.73) CDK8CDK2CDK1SRCABL1
SCHEMBL12972358 0.84 SRC (0.58) CDK8CDK2CDK1SRCABL1
SCHEMBL29391327 0.84 SRC (0.58) CDK8CDK2CDK1SRCABL1
SCHEMBL12972367 0.83 SRC (0.57) CDK8CDK2CDK1SRCABL1
SCHEMBL12972265 0.83 CDK2 (0.58) CDK8CDK2CDK1SRCABL1
SCHEMBL2777686 0.83 SRC (0.52) CDK8CDK2CDK1SRCABL1
SCHEMBL2436659 0.81 CDK2 (0.72) CDK8CDK2CDK1SRCABL1
SCHEMBL2779084 0.81 KDR (0.52) CDK8CDK2CDK1SRCABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF CDK8 173/4885CDK2 17/4885CDK1 26/4885

“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.