SCHEMBL595085

SCHEMBL595085

CC(=O)c1c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.48
CCNA2 P20248 13/20 0.48
CDK2 P24941 13/20 0.48
CCNA1 P78396 13/20 0.48
MTOR P42345 2/20 0.46
RPTOR Q8N122 2/20 0.46
MLST8 Q9BVC4 2/20 0.46
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43
KDR P35968 1/20 0.43
ETV6 P41212 1/20 0.43
CCDC6 Q16204 1/20 0.43
PLAT P00750 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
Hydrochloric Acid SCHEMBL593523 0.99 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10235352 0.91 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7878864 0.91 MTOR (0.45) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL588366 0.90 MTOR (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10237615 0.90 MTOR (0.45) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL14325420 0.90 MTOR (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10277202 0.89 MTOR (0.44) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL6889175 0.89 MTOR (0.44) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL2679688 0.89 MTOR (0.44) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7884020 0.89 PLAT (0.49) CHEK1CCNA2CDK2CCNA1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 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-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 EP disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO 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 (2 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 185/4885CCNA2 203/4885CDK2 31/4885
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.