SCHEMBL15031447

SCHEMBL15031447

CC(=O)c1c(N)n2ncc(-c3ccc(-c4ccccc4)nc3)c2nc1[C@H]1CC[C@@](OCCN2CCOCC2)(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ HTT P42858 1/20 0.39
▸ PRKAB2 O43741 3/20 0.38
▸ PRKAG1 P54619 3/20 0.38
▸ PRKAA2 P54646 3/20 0.38
▸ PRKAA1 Q13131 3/20 0.38
▸ PRKAG3 Q9UGI9 3/20 0.38
▸ PRKAG2 Q9UGJ0 3/20 0.38
▸ PRKAB1 Q9Y478 3/20 0.38
▸ ACVR1 Q04771 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ FLT1 P17948 2/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ MTOR P42345 2/20 0.38
▸ RPTOR Q8N122 2/20 0.38
▸ MLST8 Q9BVC4 2/20 0.38

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
SCHEMBL15007197 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15007196 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15031456 0.91 CHEK1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15007075 0.91 CHEK1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15007076 0.91 CHEK1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15007169 0.88 MTOR (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15031446 0.88 MTOR (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15007167 0.88 MTOR (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
Bicarbonate SCHEMBL17836508 0.87 PRKAB2 (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15007140 0.85 MTOR (0.43) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 1472/4885ALDH1A1 1745/4885HPGD 1207/4885

“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.

Send feedback