SCHEMBL15444580

SCHEMBL15444580

CN(C)CCNC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ KMT2A Q03164 1/20 0.56
▸ POLB P06746 1/20 0.48
▸ SCN9A Q15858 1/20 0.46
▸ FHIT P49789 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ FYN P06241 1/20 0.43
▸ MET P08581 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ RIPK1 Q13546 2/20 0.41

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
Hydrochloric Acid SCHEMBL12493967 0.99 CYP1A2 (0.63) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL15438867 0.84 POLB (0.55) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL15439768 0.82 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL15444643 0.82 SMN1; SMN2 (0.59) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL19822585 0.79 CYP1A2 (0.70) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12495068 0.79 CYP2C19 (1.00) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12495269 0.78 CYP1A2 (0.76) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12495017 0.76 SMN1; SMN2 (0.73) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12494749 0.74 CYP1A2 (0.64) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL12494753 0.74 CYP1A2 (0.64) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A

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-10479771-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2019-11-19 — — US disclosed
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2018-02-01 — — US disclosed
US-9815795-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2017-11-14 — — US disclosed
US-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2016-08-25 — — US disclosed
US-9371290-B2 Pyridazinone compounds BIOTIE THERAPIES CORPORATION (FI) 2016-06-21 — — US disclosed
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2014-01-23 — — 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 (4 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-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CYP1A2 14/4885CYP2C19 11/4885CYP2C9 54/4885
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CYP1A2 20/4885CYP2C19 23/4885CYP2C9 103/4885
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CYP1A2 14/4885CYP2C19 11/4885CYP2C9 54/4885
US-10479771-B2 Pyridazinone and pyridone compounds XDH, PNPO, PDXK CYP1A2 14/4885CYP2C19 11/4885CYP2C9 54/4885

“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.

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