SCHEMBL10280308

SCHEMBL10280308

COCc1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccc(OC)cc4)nc3)cnn2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.43
▸ PIK3CA P42336 4/20 0.43
▸ HPGD P15428 6/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ RPTOR Q8N122 1/20 0.35
▸ MLST8 Q9BVC4 1/20 0.35

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
SCHEMBL10234977 0.88 MTOR (0.44) MTORPIK3CAHPGDKMT2AMEN1
SCHEMBL10240078 0.87 MTOR (0.43) MTORPIK3CAHPGDKMT2AMEN1
SCHEMBL7887431 0.82 PIK3CA (0.43) MTORPIK3CAJAK1JAK3
SCHEMBL10234657 0.81 CHEK1 (0.45) MTORHPGDKMT2AMEN1NPC1
SCHEMBL2679698 0.81 MTOR (0.41) MTORHPGDKMT2AMEN1MAPT
SCHEMBL2679695 0.81 MTOR (0.41) MTORHPGDKMT2AMEN1MAPT
SCHEMBL10234674 0.81 MTOR (0.41) MTORPIK3CAHPGDKMT2AMEN1
SCHEMBL2679993 0.81 MTOR (0.41) MTORPIK3CAHPGDKMT2AMEN1
SCHEMBL2679994 0.81 MTOR (0.41) MTORPIK3CAHPGDKMT2AMEN1
SCHEMBL10237857 0.80 CHEK1 (0.41) MTORPIK3CA

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 1 patent. 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

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 34/4885HPGD 2087/4885

“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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