SCHEMBL7880932

SCHEMBL7880932

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
TNIK Q9UKE5 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.33
CASP3 P42574 1/20 0.32
BLM P54132 1/20 0.32
NCOA1 Q15788 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 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
SCHEMBL10235278 0.92 KDR (0.35) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL10239355 0.92 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7883229 0.91 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7879810 0.90 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7882870 0.87 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7879748 0.87 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL10239360 0.86 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7882864 0.86 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7880930 0.86 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL10239372 0.86 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2

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 720/4885NPC1 348/4885KDM4E 1448/4885

“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.