SCHEMBL10235351

SCHEMBL10235351

CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccc(O)nc4)nc3)cnn2c1N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 8/20 0.34
▸ PIK3CA P42336 6/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ RPTOR Q8N122 2/20 0.34
▸ MLST8 Q9BVC4 2/20 0.34
▸ CHEK1 O14757 8/20 0.34
▸ CCNA2 P20248 8/20 0.34
▸ CDK2 P24941 8/20 0.34
▸ CCNA1 P78396 8/20 0.34
▸ ROCK2 O75116 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 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
SCHEMBL2679993 0.92 MTOR (0.41) MTORPIK3CAPIK3CDPIK3CGRPTOR
SCHEMBL2679994 0.92 MTOR (0.41) MTORPIK3CAPIK3CDPIK3CGRPTOR
SCHEMBL10234674 0.92 MTOR (0.41) MTORPIK3CAPIK3CDPIK3CGRPTOR
SCHEMBL10234867 0.91 RAB9A (0.38) MTORPIK3CAPIK3CDPIK3CGRPTOR
SCHEMBL10238033 0.91 CHEK1 (0.43) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10238350 0.90 CHEK1 (0.43) MTORPIK3CAPIK3CDPIK3CGRPTOR
SCHEMBL10234977 0.90 MTOR (0.44) MTORPIK3CAPIK3CDPIK3CGRPTOR
SCHEMBL7887431 0.90 PIK3CA (0.43) MTORPIK3CAPIK3CDJAK1JAK3
SCHEMBL10238074 0.90 MTOR (0.34) MTORPIK3CAPIK3CDPIK3CGRPTOR
SCHEMBL10234896 0.90 THRB (0.36) MTORPIK3CAPIK3CDPIK3CGRPTOR

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 1/4885PIK3CA 34/4885PIK3CD 95/4885

“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.

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