SCHEMBL10239221

SCHEMBL10239221

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.40
MAPK8 P45983 1/20 0.40
CDK2 P24941 5/20 0.39
CDK1 P06493 3/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCNA2 P20248 2/20 0.39
CCNK O75909 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 3/20 0.38
DYRK1A Q13627 1/20 0.38
NOS2 P35228 4/20 0.37
NOS1 P29475 3/20 0.37

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
SCHEMBL10239248 0.94 CCNA2 (0.38) MAPK8CDK2CCNA2CCNKCDK7
SCHEMBL10240152 0.94 ALDH1A1 (0.42) MAP4K4CDK2CDK1CDK4CCND1
SCHEMBL10239242 0.91 CCNA2 (0.41) CDK2CCNA2CCNKCDK7CCNH
SCHEMBL7879290 0.91 CCNA2 (0.39) MAP4K4CDK2CCNA2CCNKCDK7
SCHEMBL10239256 0.90 DYRK1A (0.39) MAPK8CDK2CDK1CDK4CCND1
SCHEMBL10239257 0.90 DYRK1A (0.39) MAP4K4CDK2CCNA2CCNKCDK7
SCHEMBL7883416 0.90 CCNA2 (0.39) CDK2CCNA2CCNKCDK7CCNH
SCHEMBL7882658 0.89 MET (0.39) CDK2CCNA2CCNKCDK7CCNH
SCHEMBL10239230 0.89 CCNA2 (0.38) MAP4K4MAPK8CDK2CCNA2CCNK
SCHEMBL7882822 0.89 CCNA2 (0.38) MAP4K4CDK2CCNA2CCNKCDK7

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 MAP4K4 341/4885MAPK8 537/4885CDK2 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.