SCHEMBL2679686

SCHEMBL2679686

COC1COCCC1NCc1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.36
CHEK1 O14757 9/20 0.36
CCNA2 P20248 9/20 0.36
CDK2 P24941 9/20 0.36
CCNA1 P78396 9/20 0.36
MET P08581 1/20 0.32
OPRK1 P41145 1/20 0.32
TYK2 P29597 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAP4K1 Q92918 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL10239220 1.00 OPRL1 (0.36) OPRL1CHEK1CCNA2CDK2CCNA1
SCHEMBL10239077 1.00 OPRL1 (0.36) OPRL1CHEK1CCNA2CDK2CCNA1
SCHEMBL7883870 1.00 OPRL1 (0.36) OPRL1CHEK1CCNA2CDK2CCNA1
SCHEMBL10234998 0.93 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1OPRK1
SCHEMBL10235083 0.93 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1OPRK1
SCHEMBL10235085 0.93 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1OPRK1
SCHEMBL10235025 0.91 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1MET
SCHEMBL10235021 0.91 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1MET
SCHEMBL10239296 0.87 MET (0.38) CHEK1CCNA2CDK2CCNA1MET
SCHEMBL10239304 0.87 MET (0.38) CHEK1CCNA2CDK2CCNA1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
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
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 OPRL1 4510/4885CHEK1 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.