SCHEMBL3217372

SCHEMBL3217372

COc1cc(C(F)(F)F)nnc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
PDE10A Q9Y233 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
NPSR1 Q6W5P4 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
MITF O75030 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL21241508 0.78 PDE10A (0.35) KDM4EALDH1A1HPGDTSHRCASP1
SCHEMBL16235200 0.77 KDM4E (0.37) KDM4EALDH1A1HPGDTSHRCASP1
SCHEMBL22598457 0.77 PDE5A (0.35) KDM4EALDH1A1HPGDTSHRCASP1
SCHEMBL23664426 0.77 PDE10A (0.35) KDM4EALDH1A1HPGDTSHRCASP1
SCHEMBL3206924 0.73 NT5E (0.32) KDM4E
SCHEMBL31045864 0.72 PDE10A (0.43) KDM4EALDH1A1HPGDTSHRPDE10A
SCHEMBL21240997 0.70 HSD17B10 (0.48) KDM4EALDH1A1HPGDTSHRL3MBTL1
SCHEMBL21241509 0.69 CES2 (0.31) LMNAPOLB
SCHEMBL24975914 0.69 ALDH1A1 (0.36) KDM4EALDH1A1HPGDL3MBTL1NPSR1
SCHEMBL31522927 0.69 CA2 (0.38) KDM4EALDH1A1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-8906921-B2 4-alkoxypyridazine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
US-8906921-B2 4-alkoxypyridazine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
US-8906921-B2 4-alkoxypyridazine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
EP-2148873-B1 4-ALKOXYPYRIDAZINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-29 EP disclosed
US-20100063058-A1 4-ALKOXYPYRIDAZINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-11 US disclosed
US-20100063058-A1 4-ALKOXYPYRIDAZINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-11 US disclosed
US-20100063058-A1 4-ALKOXYPYRIDAZINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-11 US disclosed
EP-2148873-A1 4-ALKOXYPYRIDAZINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP disclosed
WO-2008128995-A1 4-ALKOXYPYRIDAZINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO disclosed
WO-2008128995-A1 4-ALKOXYPYRIDAZINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 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 (1 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-20100063058-A1 4-ALKOXYPYRIDAZINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A KDM4E 1349/4885ALDH1A1 747/4885HPGD 2516/4885

“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.