SCHEMBL5089841

SCHEMBL5089841

CCOC(=O)c1c(C(C)C)nn2c(Br)ccc2c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC10A2 Q12908 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GRM6 O15303 1/20 0.39
PRKCZ Q05513 1/20 0.39
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNB4 O00305 2/20 0.39
CACNA1A O00555 2/20 0.39
CACNA1G O43497 2/20 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
SCHEMBL3820745 0.89 MAPT (0.47) GCGRMAPTHTTALDH1A1KDM4E
SCHEMBL9753340 0.88 GCGR (0.43) GCGRMAPTALDH1A1KDM4EHPGD
SCHEMBL3822819 0.88 GCGR (0.43) GCGRMAPTHTTALDH1A1KDM4E
SCHEMBL5095559 0.87 GCGR (0.43) GCGRMAPTHTTALDH1A1KDM4E
SCHEMBL5094505 0.87 GCGR (0.47) GCGRMAPTALDH1A1KDM4EHPGD
SCHEMBL5095533 0.86 GCGR (0.42) GCGRMAPTHTTALDH1A1KDM4E
SCHEMBL5093104 0.86 MAPT (0.44) GCGRMAPTALDH1A1KDM4EHPGD
SCHEMBL3819543 0.86 GCGR (0.42) GCGRMAPTHTTALDH1A1KDM4E
SCHEMBL5101498 0.86 ALDH1A1 (0.44) GCGRMAPTALDH1A1KDM4EHPGD
SCHEMBL3822321 0.85 GCGR (0.41) GCGRMAPTALDH1A1KDM4EHPGD

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
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US 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
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 US disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 WO disclosed
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 GCGR 2019/4885MAPT 2752/4885HTT 3062/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 GCGR 2019/4885MAPT 2752/4885HTT 3062/4885

“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.