SCHEMBL10235083

SCHEMBL10235083

CO[C@@H]1COCC[C@@H]1NCc1nc2c(-c3cnc4ccc(C)cc4c3)cnn2c(N)c1Br

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.36
CCNA2 P20248 9/20 0.36
CDK2 P24941 9/20 0.36
CCNA1 P78396 9/20 0.36
TYK2 P29597 4/20 0.33
OPRK1 P41145 7/20 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
SCHEMBL10235085 1.00 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1TYK2
SCHEMBL10234998 1.00 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1TYK2
SCHEMBL2679686 0.93 OPRL1 (0.36) CHEK1CCNA2CDK2CCNA1TYK2
SCHEMBL10239220 0.93 OPRL1 (0.36) CHEK1CCNA2CDK2CCNA1TYK2
SCHEMBL10239077 0.93 OPRL1 (0.36) CHEK1CCNA2CDK2CCNA1TYK2
SCHEMBL7883870 0.93 OPRL1 (0.36) CHEK1CCNA2CDK2CCNA1TYK2
SCHEMBL10235025 0.91 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1TYK2
SCHEMBL10235021 0.91 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1TYK2
SCHEMBL10235211 0.88 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1OPRK1
SCHEMBL10235196 0.88 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1OPRK1

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.