SCHEMBL14595286

SCHEMBL14595286

CC(C)(CO)c1ncc(N)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 8/20 0.38
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
CDK5 Q00535 2/20 0.33
DYRK1A Q13627 2/20 0.33
CDK5R1 Q15078 2/20 0.33
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL25316534 0.80 NUDT1 (0.32) NUDT1CCNA2CDK2CCNA1CDK5
SCHEMBL26622776 0.80 APLNR (0.39) NUDT1CCNA2CDK2CCNA1CDK5
SCHEMBL25922708 0.78 NUDT1 (0.31) NUDT1CCNA2CDK2CCNA1CDK5
SCHEMBL18149303 0.78 KDM4E (0.32) NUDT1CCNA2CDK2CCNA1CDK5
SCHEMBL25922712 0.75 NUDT1 (0.33) NUDT1CCNA2CDK2CCNA1CDK5
SCHEMBL21375246 0.75 KDM4E (0.32) KDM4ERAB9A
SCHEMBL599774 0.74 KDM4E (0.37) KDM4ENPC1RAB9A
SCHEMBL15651900 0.74 KDM4E (0.37) NUDT1KDM4ERAB9A
SCHEMBL16905563 0.70 KDM4E (0.32) KDM4ERAB9A
SCHEMBL14595543 0.68 MAP4K4 (0.36) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS NUDT1 3491/4885CCNA2 455/4885CDK2 70/4885

“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.