SCHEMBL896645

SCHEMBL896645

COc1cnc(-c2c(-c3ccc(Cl)cc3)c(C)n[nH]c2=O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALOX12 P18054 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
GPR55 Q9Y2T6 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DRD1 P21728 5/20 0.41
HSP90AA1 P07900 4/20 0.40
TP53 P04637 3/20 0.39
ALOX15 P16050 3/20 0.39
MAPK1 P28482 3/20 0.39

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
SCHEMBL896712 0.87 GRIN2D (0.42) MAPTALOX12NPSR1MEN1KMT2A
SCHEMBL10131947 0.81 GRIN2D (0.36) MAPTALOX12NPSR1MEN1KMT2A
SCHEMBL10000169 0.79 TYMP (0.38) MAPTMEN1KMT2ADRD1TP53
SCHEMBL10000096 0.79 GRIN2D (0.43) NPSR1MEN1KMT2ADRD1HPGD
SCHEMBL896179 0.79 GRIN2D (0.41) MAPTALOX12NPSR1MEN1KMT2A
SCHEMBL896839 0.79 KMT2A (0.40) MAPTALOX12NPSR1MEN1KMT2A
SCHEMBL2352347 0.78 ALOX12 (0.42) MAPTALOX12NPSR1MEN1KMT2A
SCHEMBL896388 0.78 DRD1 (0.40) MAPTALOX12NPSR1MEN1KMT2A
SCHEMBL896628 0.77 DRD1 (0.43) DRD1
SCHEMBL896325 0.74 CCR1 (0.40) MEN1KMT2ACYP3A4KDM4EDRD1

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-8598176-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
EP-1958946-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-02-23 EP disclosed
EP-1958946-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-02-23 EP disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK MAPT 285/4885ALOX12 784/4885NPSR1 2976/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK MAPT 285/4885ALOX12 784/4885NPSR1 2976/4885

“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.