SCHEMBL15091075

SCHEMBL15091075

C=CCc1nc([N+](=O)[O-])ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HTT P42858 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.39
PTGS1 P23219 2/20 0.37
PKM P14618 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL6073621 0.77 MEN1 (0.43) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL15099894 0.74 ALDH1A1 (0.47) ALDH1A1PPARGPPARDPPARAHTT
SCHEMBL18560503 0.73 ALDH1A1 (0.42) ALDH1A1PPARGPPARDPPARAHTT
SCHEMBL4158236 0.73 MEN1 (0.47) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL8558796 0.73 KMT2A (0.47) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL6074247 0.72 ALDH1A1 (0.46) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL2031745 0.71 MEN1 (0.46) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL15091095 0.70 MEN1 (0.42) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL7075743 0.69 ALDH1A1 (0.63) ALDH1A1PPARGPPARDPPARAHTT
SCHEMBL3958628 0.69 GABRA1 (0.55) ALDH1A1PPARGPPARDPPARAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112928-B2 Inhibitors of SYK HOFFMANN-LA ROCHE INC. (US) 2018-10-30 US disclosed
EP-2802567-B1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
EP-2802567-B1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
US-20150284367-A1 INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-10-08 US disclosed
US-20150284367-A1 INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-10-08 US disclosed
EP-2909174-A1 INHIBITORS OF SYK F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
EP-2802567-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP disclosed
WO-2014060371-A1 INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
WO-2014060371-A1 INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 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 (3 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-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS SYK, BTK, IRAK2 ALDH1A1 3705/4885PPARG 2372/4885PPARD 1468/4885
US-20150284367-A1 INHIBITORS OF SYK SYK, BTK, LYN ALDH1A1 4489/4885PPARG 4571/4885PPARD 3762/4885
US-10112928-B2 Inhibitors of SYK SYK, BTK, LYN ALDH1A1 4489/4885PPARG 4571/4885PPARD 3762/4885

“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.