SCHEMBL3825532

SCHEMBL3825532

CC(=O)CC(=O)c1cncc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
HTT P42858 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ROCK2 O75116 1/20 0.47

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
SCHEMBL5094634 0.89 KDM4E (0.67) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL6133214 0.84 POLB (0.63) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL29433500 0.83 POLB (0.62) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL6564351 0.83 POLB (0.62) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL1477156 0.83 KDM4E (0.56) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL1659844 0.80 CYP2C19 (0.61) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL3968985 0.80 KDM4E (0.53) KDM4EPOLBHCAR2HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9671408 0.80 KDM4E (0.61) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL16891501 0.80 POLB (0.58) KDM4EPOLBHCAR2HTTSMN1; SMN2
SCHEMBL6118965 0.79 POLB (0.62) KDM4EPOLBHCAR2HTTSMN1; SMN2

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-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 US disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 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 (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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KDM4E 1703/4885POLB 759/4885HCAR2 1496/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KDM4E 1703/4885POLB 759/4885HCAR2 1496/4885

“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.