SCHEMBL2265952

SCHEMBL2265952

Nn1c(S)nnc1Cc1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
LTB4R Q15722 1/20 0.45
MAPK1 P28482 1/20 0.44
SLC6A4 P31645 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSP90AB1 P08238 5/20 0.44
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CMA1 P23946 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL24128943 0.89 TAAR1 (0.53) TAAR1MAPK1SLC6A4MAPTCYP1A2
SCHEMBL5331937 0.79 ADORA1 (0.47) MAPK1HSP90AB1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL25412219 0.74 ALDH1A1 (0.44) TAAR1SLC6A4CYP3A4ALDH1A1SLC6A2
SCHEMBL109195 0.73 TAAR1 (0.64) TAAR1SLC6A4MAPTCYP1A2CYP3A4
SCHEMBL108109 0.71 TAAR1 (0.62) TAAR1SLC6A4MAPTCYP1A2CYP3A4
SCHEMBL19341768 0.71 GFER (0.47) ALDH1A1SMN1; SMN2TSHR
SCHEMBL18197881 0.69 MET (0.55) MAPK1SLC6A4MAPTCYP1A2CYP3A4
SCHEMBL108087 0.69 TAAR1 (0.77) TAAR1SLC6A4MAPTCYP1A2CYP3A4
SCHEMBL19328356 0.69 CNR2 (0.47) TAAR1ALDH1A1KMT2A
SCHEMBL25414316 0.68 ALDH1A1 (0.46) MAPK1HSP90AB1HSD17B10ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963329-B1 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMA (US) 2013-01-23 EP disclosed
EP-1963329-B1 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMA (US) 2013-01-23 EP disclosed
US-7998987-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-16 US disclosed
US-7998987-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-16 US disclosed
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 US disclosed
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 US disclosed
US-7728017-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-7728017-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-20070191369-A1 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-08-16 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 (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-20070191369-A1 Inhibitors of c-Met and uses thereof MET, HGF, ABL1 TAAR1 3283/4885LTB4R 3403/4885MAPK1 945/4885
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, ABL1 TAAR1 3283/4885LTB4R 3403/4885MAPK1 945/4885

“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.