Sugi Predict

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SCHEMBL588657

SCHEMBL588657

COC(=O)Cc1ccc(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 5/20 0.38
▸ CCNA2 P20248 5/20 0.38
▸ CDK2 P24941 5/20 0.38
▸ CCNA1 P78396 5/20 0.38
▸ PIK3CA P42336 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AKT1 P31749 2/20 0.34
▸ MTOR P42345 2/20 0.34

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
SCHEMBL7882524 0.91 PIK3CA (0.37) PIK3CAHPGDSMN1; SMN2NPC1NFKB1
SCHEMBL2680114 0.90 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL2679517 0.87 LMNA (0.38) PIK3CAHPGDSMN1; SMN2NPC1NFKB1
SCHEMBL583958 0.84 PTGS1 (0.41) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL588534 0.84 HPGD (0.31) HPGDSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL2680170 0.78 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL10235313 0.78 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL583729 0.77 SGK1 (0.36) PIK3CAHPGDSMN1; SMN2NPC1NFKB1
SCHEMBL7874701 0.76 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1HPGD
SCHEMBL6893497 0.76 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1PIK3CA

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 6 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
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP 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 CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.