SCHEMBL10235196

SCHEMBL10235196

Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CN[C@H]5CCOC5)nc34)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.39
CCNA2 P20248 10/20 0.39
CDK2 P24941 10/20 0.39
CCNA1 P78396 10/20 0.39
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
OPRK1 P41145 3/20 0.35
MET P08581 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
FGFR1 P11362 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
RPS6KA4 O75676 1/20 0.33
STK10 O94804 1/20 0.33
LATS1 O95835 1/20 0.33
PAK4 O96013 1/20 0.33
RET P07949 1/20 0.33
PIM1 P11309 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL10235211 1.00 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1PDCD1
SCHEMBL10235210 0.95 CHEK1 (0.38) CHEK1CCNA2CDK2CCNA1PDCD1
SCHEMBL6892935 0.95 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1OPRK1
SCHEMBL10235332 0.94 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1FGFR1
SCHEMBL10239304 0.91 MET (0.38) CHEK1CCNA2CDK2CCNA1PDCD1
SCHEMBL10239296 0.91 MET (0.38) CHEK1CCNA2CDK2CCNA1PDCD1
SCHEMBL10234998 0.88 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1OPRK1
SCHEMBL10235085 0.88 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1OPRK1
SCHEMBL10235083 0.88 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1OPRK1
SCHEMBL10235134 0.87 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1RPS6KA4

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.