SCHEMBL15438867

SCHEMBL15438867

Cc1cc(=O)n(-c2ccccc2)nc1C(=O)NCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ FHIT P49789 1/20 0.50
▸ RIPK1 Q13546 5/20 0.47
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ MALT1 Q9UDY8 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MET P08581 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL15444580 0.84 CYP1A2 (0.64) POLBFHITRIPK1NFKB1NFKB2
Hydrochloric Acid SCHEMBL12493967 0.83 CYP1A2 (0.63) POLBFHITRIPK1NFKB1NFKB2
SCHEMBL15439932 0.81 EEF2K (0.58) FHITRIPK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL25078658 0.77 MAPK1 (0.63) FHITRIPK1SMN1; SMN2KMT2AHTT
SCHEMBL25078375 0.75 CYP2C9 (0.68) FHITSMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL30023183 0.74 KMT2A (0.71) FHITRIPK1SMN1; SMN2KMT2AHTT
SCHEMBL28355260 0.73 ALDH1A1 (0.72) KMT2AHTTALDH1A1NPC1RAB9A
SCHEMBL11867074 0.71 RAD52 (0.62) NFKB1NFKB2RELAMALT1
SCHEMBL21625073 0.70 SHMT2 (0.48) POLBRIPK1NFKB1NFKB2RELA
SCHEMBL2087431 0.68 ALDH1A1 (0.62) POLBSMN1; SMN2ALDH1A1NPC1RAB9A

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 POLB 1017/4885FHIT 4376/4885RIPK1 4195/4885
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK POLB 948/4885FHIT 4588/4885RIPK1 4069/4885
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK POLB 1017/4885FHIT 4376/4885RIPK1 4195/4885

“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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