Sugi Predict

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SCHEMBL20120

SCHEMBL20120

COCCOC1(C(=N)N)CCC(c2cc(N)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 13/20 0.41
▸ CCNA2 P20248 9/20 0.41
▸ CDK2 P24941 9/20 0.41
▸ CCNA1 P78396 9/20 0.41
▸ GRM4 Q14833 2/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL15007444 0.91 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007446 0.91 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007077 0.86 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007036 0.85 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15031540 0.83 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007235 0.83 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007233 0.83 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15006952 0.83 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL21833 0.82 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007336 0.80 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1GRM4

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 8 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 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
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 — — 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 CHEK1 591/4885CCNA2 2405/4885CDK2 260/4885

“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.