SCHEMBL10235148

SCHEMBL10235148

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.38
CDK2 P24941 8/20 0.38
CHEK1 O14757 6/20 0.38
CCNA1 P78396 6/20 0.38
CCNK O75909 2/20 0.37
CDK7 P50613 2/20 0.37
CCNH P51946 2/20 0.37
MNAT1 P51948 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
SYK P43405 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDR P35968 6/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 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
SCHEMBL10235145 0.93 MAPK8 (0.39) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10239257 0.93 DYRK1A (0.39) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10235318 0.93 CCNA2 (0.39) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10235323 0.92 CCNA2 (0.39) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10235128 0.91 CCNA2 (0.40) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10235130 0.91 CCNA2 (0.38) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10240152 0.91 ALDH1A1 (0.42) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10235118 0.91 MAPK8 (0.38) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10235119 0.91 CCNA2 (0.38) CCNA2CDK2CHEK1CCNA1CCNK
SCHEMBL10235150 0.90 CCNA2 (0.37) CCNA2CDK2CHEK1CCNA1CCNK

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 CCNA2 2476/4885CDK2 165/4885CHEK1 461/4885

“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.