SCHEMBL15438873

SCHEMBL15438873

Cc1cc(=O)n(-c2ccccc2)nc1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP8 P40818 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
NPY5R Q15761 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.44
CYP2A6 P11509 2/20 0.44
GAA P10253 1/20 0.43
TBXAS1 P24557 1/20 0.43
GLO1 Q04760 1/20 0.43
MYC P01106 1/20 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
SCHEMBL15444620 0.80 CYP1A2 (0.51) CA1CA2CA12CA9ALDH1A1
SCHEMBL7682175 0.75 ALDH1A1 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL13860655 0.75 NPC1 (0.54) ALDH1A1L3MBTL1USP8MEN1KMT2A
SCHEMBL15438863 0.73 PDE10A (0.48) ALDH1A1MEN1KMT2AMAPT
Benzoic Acid SCHEMBL28158909 0.73 IRAK1 (0.51) ALDH1A1L3MBTL1KDM4EMAPTNPC1
SCHEMBL15070241 0.73 USP8 (0.77) CA1CA2CA12CA9ALDH1A1
SCHEMBL2730578 0.71 RAB9A (0.63) CA1CA2CA12CA9ALDH1A1
SCHEMBL2690530 0.71 USP8 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL14133059 0.70 USP8 (0.72) CA1CA2CA12CA9ALDH1A1
SCHEMBL15440111 0.69 AOC3 (0.41) ALDH1A1MEN1KMT2A

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
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 (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-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CA1 3572/4885CA2 2759/4885CA12 4631/4885
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CA1 3791/4885CA2 2828/4885CA12 4723/4885
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK CA1 3572/4885CA2 2759/4885CA12 4631/4885

“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.