SCHEMBL10239281

SCHEMBL10239281

CON(C)C(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.36
CDK2 P24941 10/20 0.36
CCNK O75909 5/20 0.36
CDK7 P50613 5/20 0.36
CCNH P51946 5/20 0.36
MNAT1 P51948 5/20 0.36
CDK12 Q9NYV4 5/20 0.36
CHEK1 O14757 5/20 0.36
CCNA1 P78396 5/20 0.36
DYRK1A Q13627 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SYK P43405 2/20 0.32
MC4R P32245 2/20 0.32
KCNH2 Q12809 2/20 0.32
RET P07949 2/20 0.32
KIF5B P33176 2/20 0.32
KDR P35968 2/20 0.32
ETV6 P41212 1/20 0.32
CCDC6 Q16204 1/20 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
SCHEMBL10235174 0.93 CCNA2 (0.36) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL7882822 0.93 CCNA2 (0.38) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL10239248 0.91 CCNA2 (0.38) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL7879290 0.89 CCNA2 (0.39) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL601370 0.89 CCNA2 (0.36) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL7882658 0.89 MET (0.39) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL10239230 0.89 CCNA2 (0.38) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL7882653 0.88 CCNA2 (0.37) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL10239221 0.88 MAP4K4 (0.40) CCNA2CDK2CCNKCDK7CCNH
SCHEMBL10239257 0.88 DYRK1A (0.39) CCNA2CDK2CCNKCDK7CCNH

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
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 CCNA2 2476/4885CDK2 165/4885CCNK 859/4885

“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.