SCHEMBL10234841

SCHEMBL10234841

CC(=O)c1c(C2CCN(C(=O)CN(C)C)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.41
RPTOR Q8N122 3/20 0.41
MLST8 Q9BVC4 3/20 0.41
TNK2 Q07912 1/20 0.40
MET P08581 1/20 0.39
CDK2 P24941 2/20 0.38
CHEK1 O14757 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNA1 P78396 1/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
PIK3CA P42336 9/20 0.37
KDR P35968 8/20 0.37
PIK3CB P42338 6/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CG P48736 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 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
SCHEMBL10234699 0.93 MTOR (0.42) MTORRPTORMLST8METCDK2
SCHEMBL10234681 0.91 MTOR (0.40) MTORRPTORMLST8CDK2CHEK1
SCHEMBL10239910 0.91 MTOR (0.41) MTORRPTORMLST8CDK2CHEK1
SCHEMBL10234831 0.90 MTOR (0.42) MTORRPTORMLST8METCDK2
SCHEMBL10235107 0.90 MTOR (0.42) MTORRPTORMLST8METCDK2
SCHEMBL7882636 0.90 CHEK1 (0.44) MTORRPTORMLST8TNK2MET
SCHEMBL10239903 0.89 MTOR (0.43) MTORRPTORMLST8METCDK2
SCHEMBL10234682 0.89 MTOR (0.40) MTORRPTORMLST8CDK2CHEK1
SCHEMBL10234858 0.89 MTOR (0.43) MTORRPTORMLST8CDK2CHEK1
SCHEMBL10234695 0.88 NPC1 (0.42) MTORRPTORMLST8CDK2CHEK1

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 MTOR 1/4885RPTOR 3/4885MLST8 15/4885

“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.