SCHEMBL15007076

SCHEMBL15007076

Nc1c(Br)c(C2CCC(OCCN3CCOCC3)(C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.40
▸ CCNA2 P20248 5/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ CCNA1 P78396 5/20 0.40
▸ PRKAB2 O43741 3/20 0.39
▸ PRKAG1 P54619 3/20 0.39
▸ PRKAA2 P54646 3/20 0.39
▸ PRKAA1 Q13131 3/20 0.39
▸ PRKAG3 Q9UGI9 3/20 0.39
▸ PRKAG2 Q9UGJ0 3/20 0.39
▸ PRKAB1 Q9Y478 3/20 0.39
▸ FLT1 P17948 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ ACVR1 Q04771 2/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 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
SCHEMBL15031456 1.00 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1PRKAB2
SCHEMBL15007075 1.00 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1PRKAB2
SCHEMBL15007196 0.91 KDM4E (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15031447 0.91 KDM4E (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15007197 0.91 KDM4E (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15007182 0.87 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1KDR
SCHEMBL15031455 0.87 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1KDR
SCHEMBL15007183 0.87 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1KDR
SCHEMBL15007203 0.87 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL15007204 0.87 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1KDM4E

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
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-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 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.

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