SCHEMBL15006923

SCHEMBL15006923

COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCC(O)(CO)CC5)nc34)cn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.42
▸ MTOR P42345 6/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37

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
SCHEMBL15007228 0.92 PIK3CA (0.40) PIK3CAMTORAKT1PIK3CDCSNK2A2
SCHEMBL15007288 0.90 CHEK1 (0.35) MTOR
SCHEMBL20915 0.90 MTOR (0.42) MTOR
SCHEMBL21487 0.90 MTOR (0.42) MTOR
SCHEMBL15007234 0.90 MTOR (0.42) MTOR
SCHEMBL15007080 0.88 CHEK1 (0.44) CSNK2A2
SCHEMBL17836374 0.88 RET (0.35) PIK3CAMTOR
SCHEMBL25308 0.88 RET (0.35) PIK3CAMTOR
SCHEMBL15007323 0.88 CHEK1 (0.43) MTOR
SCHEMBL15031616 0.87 RET (0.36) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 — — EP claimed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US claimed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — US claimed
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 — — EP disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 PIK3CA 79/4885MTOR 1/4885AKT1 17/4885

“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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