SCHEMBL17290973

SCHEMBL17290973

CSc1ccc(-c2nn(C)c(O)c2C(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CSF1R P07333 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CDK8 P49336 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45
PRKCQ Q04759 1/20 0.45
LRRK2 Q5S007 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
ADORA3 P0DMS8 2/20 0.38
PLAU P00749 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 4/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL17295334 0.81 CSF1R (0.64) POLBCSF1RFGFR1FLT1KDR
SCHEMBL17290901 0.81 CSF1R (0.64) POLBCSF1RFGFR1FLT1KDR
SCHEMBL17290748 0.80 POLB (0.36) POLBCSF1RFGFR1FLT1KDR
SCHEMBL17290749 0.80 POLB (0.36) POLBCSF1RFGFR1FLT1KDR
SCHEMBL17295327 0.78 MAPK13 (0.38) POLBPLAUALDH1A1MAPK1PTGS2
SCHEMBL17290796 0.78 MAPK13 (0.38) POLBPLAUALDH1A1MAPK1PTGS2
SCHEMBL17295125 0.78 SCN9A (0.44) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL17290240 0.78 SCN9A (0.44) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL17295073 0.77 ALDH1A1 (0.40) POLBPLAUALDH1A1MAPK1PTGS2
SCHEMBL17290566 0.77 ALDH1A1 (0.40) POLBPLAUALDH1A1MAPK1PTGS2

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
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 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 (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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 POLB 3091/4885CSF1R 4796/4885FGFR1 3534/4885

“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.