SCHEMBL10239271

SCHEMBL10239271

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.37
CDK2 P24941 7/20 0.37
CHEK1 O14757 6/20 0.37
CCNA1 P78396 6/20 0.37
ALDH1A1 P00352 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
MAP4K4 O95819 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
AURKB Q96GD4 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
DYRK1A Q13627 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
SCHEMBL10235164 0.93 CHEK1 (0.37) CCNA2CDK2CHEK1CCNA1ALDH1A1
SCHEMBL7886194 0.92 ABCG2 (0.35) CCNA2CDK2ALDH1A1PIK3CBMTOR
SCHEMBL7874844 0.88 CHEK1 (0.40) CCNA2CDK2CHEK1CCNA1ALDH1A1
SCHEMBL7879290 0.86 CCNA2 (0.39) CCNA2CDK2CHEK1CCNA1MAP4K4
SCHEMBL7879298 0.85 CHEK1 (0.40) CCNA2CDK2CHEK1CCNA1ALDH1A1
SCHEMBL7885294 0.85 MAP4K4 (0.43) CCNA2CDK2CHEK1CCNA1MAP4K4
SCHEMBL7878930 0.84 CCNA2 (0.38) CCNA2CDK2CHEK1CCNA1ALDH1A1
SCHEMBL10239216 0.83 CHEK1 (0.39) CCNA2CDK2CHEK1CCNA1ALDH1A1
SCHEMBL589188 0.82 CHEK1 (0.39) CCNA2CDK2CHEK1CCNA1ALDH1A1
SCHEMBL7883203 0.81 CHEK1 (0.39) CCNA2CDK2CHEK1CCNA1ALDH1A1

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 165/4885CHEK1 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.