SCHEMBL3823219

SCHEMBL3823219

CCc1ccc2c(-c3cccc(Cl)c3)c(CC(=O)O)c(-c3ccccc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.41
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
NR4A2 P43354 1/20 0.38
RXRG P48443 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL1678407 0.90 RXRA (0.46) KDM4ENPSR1MAPTRXRARXRB
SCHEMBL3827737 0.87 TBXAS1 (0.43) KDM4EPTGDR2RXRARXRBNR4A2
SCHEMBL3821918 0.86 MAPT (0.39) KDM4ENPSR1MAPTGAATDP1
SCHEMBL3826332 0.83 DHFR (0.42) KDM4ENPSR1MAPTGAA
SCHEMBL5094734 0.82 ADORA1 (0.39) KDM4EPTGDR2NPSR1MAPTGAA
SCHEMBL3820863 0.82 DHFR (0.43) KDM4ENPSR1MAPTGAA
SCHEMBL5089708 0.82 FAAH (0.40) KDM4EPTGDR2MAPTRXRARXRB
SCHEMBL6112415 0.81 GABRA2 (0.48) KDM4EGAAPTGESALOX5
SCHEMBL5095459 0.81 KDM4E (0.47) KDM4ENPSR1MAPTRXRARXRB
SCHEMBL5094874 0.79 NR4A2 (0.38) KDM4EPTGDR2NPSR1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581535-B3 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-09-02 EP disclosed
EP-1581535-B9 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-03-19 EP disclosed
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
EP-1581535-B1 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2007-10-24 EP disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 US disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 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-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KDM4E 1703/4885PTGDR2 142/4885NPSR1 1002/4885

“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.