SCHEMBL8809138

SCHEMBL8809138

Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.64
MAPK1 P28482 5/20 0.54
IGF1R P08069 2/20 0.52
MAPK14 Q16539 2/20 0.46
MAPK3 P27361 1/20 0.46
AKT1 P31749 1/20 0.44
EGFR P00533 2/20 0.43
RAF1 P04049 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
GSK3B P49841 1/20 0.43
BRD4 O60885 2/20 0.42
PDE5A O76074 1/20 0.41
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8193833 0.88 ADORA1 (0.52) ADORA1MAPK1IGF1RMAPK14AKT1
SCHEMBL7373031 0.85 ADORA1 (0.48) ADORA1MAPK1IGF1RMAPK14EGFR
SCHEMBL7654930 0.84 ADORA1 (0.60) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL8810012 0.84 ADORA1 (0.73) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL7039587 0.84 ADORA1 (0.57) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL8197666 0.83 ADORA1 (0.48) ADORA1MAPK1IGF1RBRD4PDE5A
SCHEMBL6822006 0.82 ADORA1 (0.46) ADORA1MAPK1IGF1REGFRBRD4
SCHEMBL7299166 0.82 ADORA1 (0.77) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL7295203 0.82 ADORA1 (0.73) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL5795745 0.82 ADORA1 (0.55) ADORA1MAPK1IGF1RMAPK14MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846951-B2 Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
US-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-01-15 US disclosed
EP-0379979-B1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-19 EP disclosed
US-5155114-A Treating or preventing renal toxicity, nephrosis, nephritis FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 US disclosed
US-4985444-A Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 EP 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-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ADORA1 472/4885MAPK1 4297/4885IGF1R 1973/4885

“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.