Sugi Predict

Sugi Predict / Compounds / SCHEMBL519116

SCHEMBL519116

SCHEMBL519116

CN(C)C=CC(=O)c1nn(-c2ccncc2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ CYP2C9 P11712 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ UBE2N P61088 2/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL519115 1.00 HTT (0.51) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL519441 0.88 CYP2C9 (0.61) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL519440 0.88 CYP2C9 (0.61) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL7901314 0.87 KMT2A (0.46) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL518427 0.87 KMT2A (0.59) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL518426 0.87 KMT2A (0.59) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL13260236 0.86 ALDH1A1 (0.45) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL8370640 0.86 KMT2A (0.45) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL518765 0.86 MAPT (0.58) HTTCYP2C9GAAALDH1A1KMT2A
SCHEMBL518764 0.86 MAPT (0.58) HTTCYP2C9GAAALDH1A1KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 — — US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 — — US disclosed
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 — — EP disclosed
US-9187455-B2 Substituted pyridazines as PDE10A inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-17 — — US disclosed
EP-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 — — EP disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 — — US disclosed
US-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 — — US disclosed
US-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 — — US disclosed
US-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 — — US disclosed
EP-2398795-B1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-15 — — EP disclosed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 — — US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 — — US disclosed
EP-2398795-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 — — EP disclosed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 — — EP disclosed
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-26 — — US disclosed
WO-2010094762-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 — — WO disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 — — WO disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 — — US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 — — US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 — — 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 (6 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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B HTT 3885/4885CYP2C9 659/4885GAA 852/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B HTT 3917/4885CYP2C9 637/4885GAA 924/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B HTT 3986/4885CYP2C9 630/4885GAA 1517/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B HTT 3986/4885CYP2C9 630/4885GAA 1517/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B HTT 3954/4885CYP2C9 569/4885GAA 1440/4885
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES PDE3A, PDE10A, PDE5A HTT 4266/4885CYP2C9 50/4885GAA 997/4885

“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.