SCHEMBL6336281

SCHEMBL6336281

COc1nc(C(C)C)nc(OC)c1C=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
ERN1 O75460 4/20 0.31
AKR1B1 P15121 1/20 0.31

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
SCHEMBL5322359 0.82 CCNA2 (0.40) CCNA2CDK2CCNA1
SCHEMBL6344162 0.76 CCNA2 (0.39) CCNA2CDK2CCNA1ERN1
SCHEMBL6335694 0.76 ALDH1A1 (0.37) ERN1
SCHEMBL6342720 0.76 PKM (0.34) ERN1
SCHEMBL6335267 0.74 CYP1A2 (0.42)
SCHEMBL6341505 0.73 CCNA2 (0.43) CCNA2CDK2CCNA1ERN1
SCHEMBL12599615 0.71
SCHEMBL14436063 0.71 CCNA2 (0.36) CCNA2CDK2CCNA1
SCHEMBL10734331 0.71 ALDH1A1 (0.36) ERN1
SCHEMBL6826015 0.70 CCNA2 (0.40) CCNA2CDK2CCNA1

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-20050171350-A1 Benzhydryl derivatives FUJISAWA PHARAMACEUTICAL CO., LTD. (JP) 2005-08-04 US disclosed
EP-1456201-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
WO-2003053957-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (US) 2003-07-03 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-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 CCNA2 2233/4885CDK2 2274/4885CCNA1 1534/4885

“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.