SCHEMBL10239336

SCHEMBL10239336

CC(NC1CCS(=O)(=O)CC1)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
RAB9A P51151 5/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
NPC1 O15118 4/20 0.33
MAPK14 Q16539 1/20 0.33
CHEK1 O14757 10/20 0.33
CCNA2 P20248 9/20 0.33
CDK2 P24941 9/20 0.33
CCNA1 P78396 9/20 0.33
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
BLM P54132 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL10239339 0.95 GAA (0.38) GAARAB9AMEN1KMT2ANPC1
SCHEMBL10235248 0.92 HSP90AA1 (0.33) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL7884571 0.91 GAA (0.35) GAARAB9AMEN1KMT2ANPC1
SCHEMBL595888 0.89 NTRK1 (0.36) RAB9AMEN1KMT2ANPC1MAPK14
SCHEMBL7874925 0.88 DYRK1A (0.37) MAPK14CCNA2CDK2DYRK1APIK3CB
SCHEMBL10235259 0.88 HSP90AA1 (0.32) GAAKMT2ACHEK1CCNA2CDK2
SCHEMBL7879911 0.87 KMT2A (0.35) RAB9AMEN1KMT2ANPC1CHEK1
SCHEMBL10239331 0.87 MET (0.37) RAB9AMEN1KMT2ANPC1MAPK14
SCHEMBL7882869 0.85 KCNH2 (0.38) RAB9AMEN1KMT2ANPC1CHEK1
SCHEMBL10235255 0.83 HSP90AA1 (0.32) RAB9AMEN1KMT2ANPC1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GAA 1529/4885RAB9A 720/4885MEN1 1398/4885

“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.