SCHEMBL3822280

SCHEMBL3822280

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMYD3 Q9H7B4 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
SSTR5 P35346 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 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
SCHEMBL3820664 0.83 ATM (0.47) ATMHCAR2CYP2C19CYP2C9KDM4E
SCHEMBL5093092 0.79 ATM (0.44) ATMHCAR2CYP2C19CYP2C9KDM4E
SCHEMBL11166563 0.78 KDM4E (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL27643217 0.77 HCAR2 (0.51) ATMHCAR2CYP2C19CYP2C9KDM4E
SCHEMBL2198776 0.77 KMT2A (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3821933 0.77 KDM4E (0.46) ATMHCAR2CYP2C19CYP2C9KDM4E
SCHEMBL6979199 0.76 CYP2C19 (0.72) ATMHCAR2CYP2C19CYP2C9ALDH1A1
SCHEMBL3823338 0.75 CYP2C19 (0.46) ATMHCAR2CYP2C19CYP2C9KDM4E
SCHEMBL3828192 0.74 CYP2C19 (0.45) ATMHCAR2CYP2C19CYP2C9KDM4E
SCHEMBL2036336 0.73 NPC1 (0.54) ALDH1A1CYP3A4SMN1; SMN2RAB9AGAA

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 ATM 2139/4885HCAR2 1496/4885CYP2C19 867/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 ATM 2139/4885HCAR2 1496/4885CYP2C19 867/4885

“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.