SCHEMBL5089700

SCHEMBL5089700

CCOC(=O)c1c(C(C)C)nn2c(SC#N)cc(CC)c2c1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.38
MAPT P10636 2/20 0.38
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
SLC34A1 Q06495 3/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
SLC10A2 Q12908 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5101049 0.85 GCGR (0.40) GCGRMAPTALDH1A1L3MBTL1GABRA2
SCHEMBL9753077 0.78 ALDH1A1 (0.44) GCGRMAPTDGAT1SOAT1ALDH1A1
SCHEMBL9753480 0.77 GCGR (0.42) GCGRMAPTDGAT1SOAT1ALDH1A1
SCHEMBL5093219 0.76 GCGR (0.41) GCGRMAPTALDH1A1L3MBTL1GABRA2
SCHEMBL5095533 0.75 GCGR (0.42) GCGRMAPTALDH1A1L3MBTL1GABRA2
SCHEMBL3822819 0.75 GCGR (0.43) GCGRMAPTALDH1A1L3MBTL1GABRA2
SCHEMBL3820745 0.74 MAPT (0.47) GCGRMAPTALDH1A1L3MBTL1GABRA2
SCHEMBL3819543 0.73 GCGR (0.42) GCGRMAPTALDH1A1L3MBTL1GABRA2
SCHEMBL9753340 0.73 GCGR (0.43) GCGRMAPTALDH1A1L3MBTL1GABRA2
SCHEMBL5089841 0.73 GCGR (0.43) GCGRMAPTALDH1A1L3MBTL1GABRA2

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 6 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

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 2752/4885DGAT1 4364/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 GCGR 2019/4885MAPT 2752/4885DGAT1 4364/4885

“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.