SCHEMBL5089932

SCHEMBL5089932

CC(C)c1nn2c(Cl)ccc2c(-c2ccc(F)cc2)c1CO

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.53
MAPK14 Q16539 1/20 0.42

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
SCHEMBL9753374 0.86 GCGR (0.57) GCGRMAPK14
SCHEMBL5095526 0.86 GCGR (0.39) GCGRMAPK14
SCHEMBL5089728 0.84 GCGR (0.58) GCGR
SCHEMBL3822094 0.84 RXRA (0.41) GCGRMAPK14
SCHEMBL5101323 0.83 GCGR (0.42) GCGRMAPK14
SCHEMBL3823058 0.81 GCGR (0.40) GCGRMAPK14
SCHEMBL3823052 0.81 GCGR (0.40) GCGRMAPK14
SCHEMBL27351229 0.80 MAPK14 (0.41) GCGRMAPK14
SCHEMBL5101038 0.78 MAPK14 (0.42) GCGRMAPK14
SCHEMBL9753336 0.78 MAPK14 (0.42) GCGRMAPK14

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
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN 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 2019/4885MAPK14 1215/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 GCGR 2019/4885MAPK14 1215/4885

“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.