SCHEMBL2477414

SCHEMBL2477414

NNc1ccnc2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 3/20 0.61
▸ CCNC P24863 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ GAK O14976 1/20 0.52
▸ RIPK2 O43353 1/20 0.52
▸ COQ8A Q8NI60 1/20 0.52
▸ NLK Q9UBE8 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CYP1A2 P05177 1/20 0.50
▸ FERMT2 Q96AC1 3/20 0.49
▸ MAPT P10636 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CCR1 P32246 1/20 0.47
▸ SOS2 Q07890 1/20 0.47
▸ MAPKAPK2 P49137 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ FADS1 O60427 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL2455864 0.86 CYP1A2 (0.68) NR4A2CYP1A2FERMT2MAPTTDP1
SCHEMBL30028448 0.86 CYP1A2 (0.68) NR4A2CYP1A2FERMT2MAPTTDP1
Hydrochloric Acid SCHEMBL5680197 0.84 CYP1A2 (0.66) NR4A2CYP1A2FERMT2MAPTTDP1
SCHEMBL2480030 0.79 CDK8 (0.60) CCNCCDK8GAKRIPK2FERMT2
SCHEMBL21101482 0.76 NR4A2 (1.00) NR4A2CCNCCDK8GAKRIPK2
SCHEMBL1888577 0.75 NR4A2 (0.66) NR4A2CCNCCDK8GAKRIPK2
SCHEMBL30051309 0.75 NR4A2 (0.66) NR4A2CCNCCDK8GAKRIPK2
SCHEMBL3064565 0.75 HTR1A (0.67) GAKRIPK2COQ8ANLKCYP1A2
SCHEMBL248690 0.73 HTR1A (0.63) GAKRIPK2COQ8ANLKFERMT2
SCHEMBL28219975 0.72 MAPKAPK2 (0.59) CCNCCDK8GAKRIPK2COQ8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187455-B2 Substituted pyridazines as PDE10A inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-17 — — US disclosed
EP-2398795-B1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-15 — — EP disclosed
CN-102239162-B Pyridazinone derivatives HOFFMANN LA ROCHE 2014-05-28 — — CN disclosed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 — — EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 — — US disclosed
CN-102325766-A Heteroaryl substituted pyridazinone derivatives HOFFMANN LA ROCHE 2012-01-18 — — CN disclosed
EP-2398795-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 — — EP disclosed
CN-102239162-A Pyridazinone derivatives HOFFMANN LA ROCHE 2011-11-09 — — CN disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 — — 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
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 — — US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 — — WO 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 (2 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-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A NR4A2 1699/4885CCNC 3799/4885CDK8 2342/4885
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES PDE3A, PDE10A, PDE5A NR4A2 1667/4885CCNC 3491/4885CDK8 1957/4885

“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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