SCHEMBL2147371

SCHEMBL2147371

CC(=O)c1c(C2C[C@H]3CC[C@@H](C2)N3C(C)=O)nc2c(-c3ccc(-c4ncc[nH]4)nc3)cnn2c1N

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.58
RPTOR Q8N122 6/20 0.58
MLST8 Q9BVC4 6/20 0.58
MAP3K12 Q12852 1/20 0.37
BRAF P15056 2/20 0.34
CHEK1 O14757 5/20 0.33
CCNA2 P20248 5/20 0.33
CDK2 P24941 5/20 0.33
CCNA1 P78396 5/20 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
SCHEMBL14298607 1.00 MTOR (0.58) MTORRPTORMLST8MAP3K12BRAF
SCHEMBL14245833 1.00 MTOR (0.58) MTORRPTORMLST8MAP3K12BRAF
SCHEMBL14245959 0.95 MTOR (0.57) MTORRPTORMLST8MAP3K12BRAF
SCHEMBL14298618 0.95 MTOR (0.57) MTORRPTORMLST8MAP3K12BRAF
SCHEMBL14246564 0.95 MTOR (0.57) MTORRPTORMLST8MAP3K12BRAF
SCHEMBL2147904 0.95 MTOR (0.57) MTORRPTORMLST8MAP3K12BRAF
SCHEMBL14246562 0.95 MTOR (0.57) MTORRPTORMLST8MAP3K12BRAF
SCHEMBL14246563 0.95 MTOR (0.57) MTORRPTORMLST8MAP3K12BRAF
SCHEMBL17399321 0.93 MTOR (0.56) MTORRPTORMLST8BRAFCHEK1
SCHEMBL2170325 0.93 MTOR (0.56) MTORRPTORMLST8BRAFCHEK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US claimed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US claimed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 WO claimed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 MTOR 1/4885RPTOR 4/4885MLST8 35/4885

“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.