SCHEMBL3828192

SCHEMBL3828192

CCOC(=O)CCCCC(C(C)=O)C(=O)c1cncc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.40
TBXAS1 P24557 5/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3823338 0.96 CYP2C19 (0.46) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL3821933 0.91 KDM4E (0.46) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL3821229 0.89 CYP1A2 (0.58) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL3819374 0.89 CYP2C19 (0.42) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL3821987 0.87 CYP2C19 (0.42) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL3821381 0.86 CYP2C19 (0.42) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL3825091 0.86 CYP1A2 (0.59) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL3819407 0.85 CYP2C19 (0.42) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL3826038 0.85 CYP2C19 (0.40) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL5093092 0.84 ATM (0.44) CYP2C19CYP1A2CYP3A4ALDH1A1KDM4E

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 9 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
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 CYP2C19 867/4885CYP1A2 367/4885CYP3A4 202/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 CYP2C19 867/4885CYP1A2 367/4885CYP3A4 202/4885

“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.