SCHEMBL588795

SCHEMBL588795

Cc1cc2cc(Br)cnc2o1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 3/20 0.33
HTT P42858 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL7926339 0.79 CCR1 (0.45) SMN1; SMN2ALDH1A1HTTKMT2APKM
SCHEMBL20637281 0.78 SMN1; SMN2 (0.41) SMN1; SMN2IDO1HTTKMT2AHSD17B10
SCHEMBL8269300 0.76 IDO1 (0.38) SMN1; SMN2IDO1ALDH1A1HTTKMT2A
SCHEMBL15384981 0.76 EGFR (0.34) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL10473673 0.74 IDO1 (0.45) SMN1; SMN2IDO1KMT2AMAPTMAPK1
SCHEMBL20181540 0.73 TLR8 (0.42) SMN1; SMN2IDO1
SCHEMBL16990351 0.71 IDO1 (0.41) SMN1; SMN2IDO1ALDH1A1HTTKMT2A
SCHEMBL8984136 0.69 HTR2C (0.35) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL31149386 0.69 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1HTTKMT2APKM
SCHEMBL28156465 0.69 MAOA (0.38) SMN1; SMN2IDO1ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 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-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP 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 SMN1; SMN2 1798/4885IDO1 3417/4885ALDH1A1 3479/4885

“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.