SCHEMBL7874910

SCHEMBL7874910

Cn1cc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)cn1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.66
CCNA2 P20248 10/20 0.66
CDK2 P24941 10/20 0.66
CCNA1 P78396 10/20 0.66

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
SCHEMBL11930949 0.93 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931017 0.93 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL7886620 0.90 CHEK1 (0.62) CHEK1CCNA2CDK2CCNA1
SCHEMBL6891872 0.90 CHEK1 (0.62) CHEK1CCNA2CDK2CCNA1
SCHEMBL10239436 0.90 CHEK1 (0.62) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931004 0.90 CHEK1 (0.62) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930998 0.90 CHEK1 (0.62) CHEK1CCNA2CDK2CCNA1
SCHEMBL6891866 0.88 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931000 0.88 CHEK1 (0.62) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931482 0.88 CHEK1 (0.60) CHEK1CCNA2CDK2CCNA1

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 CHEK1 461/4885CCNA2 2476/4885CDK2 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.