SCHEMBL7886243

SCHEMBL7886243

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.39
CHEK1 O14757 5/20 0.39
CCNA2 P20248 5/20 0.39
CCNA1 P78396 5/20 0.39
TDO2 P48775 1/20 0.38
CDK1 P06493 4/20 0.38
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNE1 P24864 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNB1 P14635 1/20 0.36

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
SCHEMBL7881713 0.94 CDK2 (0.39) CDK2CHEK1CCNA2CCNA1TDO2
SCHEMBL7886163 0.92 CDK2 (0.37) CDK2CHEK1CCNA2CCNA1CDK1
SCHEMBL10235327 0.92 CDK2 (0.39) CDK2CHEK1CCNA2CCNA1CDK1
SCHEMBL7882867 0.92 CDK2 (0.38) CDK2CHEK1CCNA2CCNA1TDO2
SCHEMBL7879290 0.88 CCNA2 (0.39) CDK2CHEK1CCNA2CCNA1PDCD1
SCHEMBL10239242 0.87 CCNA2 (0.41) CDK2CHEK1CCNA2CCNA1DYRK1A
SCHEMBL10239248 0.87 CCNA2 (0.38) CDK2CHEK1CCNA2CCNA1PDCD1
SCHEMBL10239257 0.87 DYRK1A (0.39) CDK2CHEK1CCNA2CCNA1PDCD1
SCHEMBL10235319 0.86 CDK2 (0.39) CDK2CHEK1CCNA2CCNA1CDK1
SCHEMBL7883416 0.86 CCNA2 (0.39) CDK2CHEK1CCNA2CCNA1ALDH1A1

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 3 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
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO 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 CDK2 165/4885CHEK1 461/4885CCNA2 2476/4885

“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.