SCHEMBL17483530

SCHEMBL17483530

CC(C)N(Cc1nc(N)nc2[nH]cnc12)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.32
CCNB1 P14635 4/20 0.32
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
CCNA1 P78396 4/20 0.32

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
SCHEMBL17483528 0.82 KDM4A (0.31) CDK1CCNB1CDK2
SCHEMBL17485502 0.82 CDK1 (0.33) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL179457 0.82 KDM4A (0.31)
SCHEMBL17483529 0.80 CDK1 (0.32) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL17485430 0.79 KDM4A (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL17485503 0.75 CDK1 (0.32) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL12844134 0.74 HEXA (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6950562 0.73 CDK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6945083 0.69 PIN1 (0.44)
SCHEMBL179392 0.69 TLR8 (0.35) CDK1CCNB1CCNA2CDK2CCNA1

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-9522146-B2 Substituted Isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE LLC (US) 2016-12-20 US disclosed
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2016-02-04 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-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CDK1 221/4885CCNB1 1882/4885CCNA2 1291/4885

“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.