SCHEMBL3829355

SCHEMBL3829355

CC(=O)C(C(=O)OC(C)(C)C)C(=O)c1cncc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
POLB P06746 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37

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
SCHEMBL5101217 0.93 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19POLBHCAR2
SCHEMBL6133363 0.80 POLB (0.56) POLBHCAR2SMN1; SMN2RAB9AHTT
SCHEMBL308788 0.76 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19POLBHCAR2
SCHEMBL9250430 0.76 ELANE (0.40) CYP3A4SMN1; SMN2HTTMAPTMEN1
SCHEMBL6133431 0.73 POLB (0.63) POLBHCAR2SMN1; SMN2RAB9AHTT
SCHEMBL9292700 0.72 AAK1 (0.45) CYP3A4L3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL27280940 0.71 APP (0.40) CYP1A2CYP3A4CYP2C19POLBHCAR2
SCHEMBL31625690 0.71 APP (0.40) CYP1A2CYP3A4CYP2C19POLBHCAR2
SCHEMBL10136683 0.71 POLB (0.60) POLBHCAR2SMN1; SMN2RAB9ANPC1
SCHEMBL3822280 0.70 ATM (0.47) CYP1A2CYP3A4CYP2C19POLBHCAR2

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
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

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 CYP1A2 367/4885CYP3A4 202/4885CYP2C19 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.