SCHEMBL7880930

SCHEMBL7880930

CC(NC(=O)C(O)CO)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.36
KMT2A Q03164 8/20 0.36
MEN1 O00255 7/20 0.36
NPC1 O15118 7/20 0.36
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
BLM P54132 1/20 0.34
NCOA1 Q15788 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL10239372 1.00 RAB9A (0.36) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL10239360 0.93 RAB9A (0.36) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL7882864 0.93 RAB9A (0.36) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL10235271 0.92 KDR (0.37) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10235302 0.92 KDR (0.37) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7882870 0.92 RAB9A (0.36) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL7879748 0.92 RAB9A (0.36) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL7882334 0.91 RAB9A (0.38) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL10239355 0.90 RAB9A (0.38) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL7879810 0.88 RAB9A (0.36) RAB9AKMT2AMEN1NPC1KDM4E

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 3 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
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 (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 RAB9A 720/4885KMT2A 2825/4885MEN1 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.