Sugi Predict

Sugi Predict / Compounds / SCHEMBL588366

SCHEMBL588366

SCHEMBL588366

Nc1c(C(=O)CO)c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.46
▸ RPTOR Q8N122 3/20 0.46
▸ MLST8 Q9BVC4 3/20 0.46
▸ CHEK1 O14757 10/20 0.45
▸ CCNA2 P20248 9/20 0.45
▸ CDK2 P24941 9/20 0.45
▸ CCNA1 P78396 9/20 0.45
▸ RET P07949 1/20 0.41
▸ KIF5B P33176 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ETV6 P41212 1/20 0.41
▸ CCDC6 Q16204 1/20 0.41
▸ PLAT P00750 2/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL595085 0.90 CHEK1 (0.48) MTORRPTORMLST8CHEK1CCNA2
Hydrochloric Acid SCHEMBL593523 0.90 CHEK1 (0.47) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240157 0.88 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10280313 0.87 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10235075 0.84 CHEK1 (0.63) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2679695 0.84 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2679698 0.84 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
Bicarbonate SCHEMBL17836431 0.83 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL597238 0.82 CHEK1 (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10238494 0.82 CHEK1 (0.46) MTORRPTORMLST8CHEK1CCNA2

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 7 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
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 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.