SCHEMBL3828575

SCHEMBL3828575

CC(C)c1nn2cccc2c(-c2ccc(F)cc2)c1C=CC=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.43
PDE5A O76074 4/20 0.39
PDE4B Q07343 4/20 0.39
CYP2C9 P11712 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MIF P14174 2/20 0.39
PDE4A P27815 2/20 0.39
PDE3A Q14432 2/20 0.39
PDE4D Q08499 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4C Q08493 1/20 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
SCHEMBL3828571 1.00 RXRA (0.43) RXRAPDE5APDE4BCYP2C9ADORA2A
SCHEMBL5670216 0.87 MIF (0.36) PDE5APDE4BCYP2C9ADORA2AADORA1
SCHEMBL5670214 0.87 MIF (0.36) PDE5APDE4BCYP2C9ADORA2AADORA1
SCHEMBL9753212 0.86 MAPK14 (0.41) PDE5APDE4BCYP2C9ADORA2AADORA1
SCHEMBL9753213 0.86 MAPK14 (0.41) PDE5APDE4BCYP2C9ADORA2AADORA1
SCHEMBL5670218 0.84 MIF (0.36) RXRAPDE5APDE4BCYP2C9ADORA2A
SCHEMBL3819361 0.81 MAPK14 (0.44) PDE5APDE4BCYP2C9ADORA2AADORA1
SCHEMBL3824831 0.81 RXRA (0.40) RXRAPDE4AMAPK14HMGCRTBXA2R
SCHEMBL3824838 0.81 RXRA (0.40) RXRAPDE4AMAPK14HMGCRTBXA2R
SCHEMBL9752918 0.78 HMGCR (0.63) RXRACYP2C9PDE4APDE4DALDH1A1

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 RXRA 2174/4885PDE5A 2/4885PDE4B 4/4885

“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.