SCHEMBL17290602

SCHEMBL17290602

Cc1c(-c2ccc(F)cc2)nn(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.45
SLC34A1 Q06495 6/20 0.42
GRM5 P41594 9/20 0.41
MAPK13 O15264 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL23399473 0.85 SMN1; SMN2 (0.40) GRM5ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL10962288 0.84 MAPK14 (0.46) MAPK14SLC34A1GRM5MAPK13CSNK1D
SCHEMBL17290692 0.82 SLC34A1 (0.41) SLC34A1GRM5KDM4EALDH1A1POLB
SCHEMBL14996547 0.81 MAPK14 (0.47) MAPK14SLC34A1GRM5MAPK13CSNK1D
SCHEMBL17290611 0.81 RECQL (0.46) KDM4EALDH1A1TP53POLBMAPT
SCHEMBL17290306 0.81 KIF11 (0.43) SLC34A1GRM5KDM4EALDH1A1
SCHEMBL17290647 0.79 MEN1 (0.47) GRM5KDM4CKDM4EALDH1A1TP53
SCHEMBL17290796 0.79 MAPK13 (0.38) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL17290301 0.79 KDM4E (0.44) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL17295327 0.79 MAPK13 (0.38) MAPK14MAPK13MAPK12MAPK11KDM4E

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 MAPK14 3443/4885SLC34A1 2658/4885GRM5 292/4885

“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.