SCHEMBL128676

SCHEMBL128676

[CH2]c1cnc(C(=O)OCC)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.48
DBF4 Q9UBU7 2/20 0.48
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL128184 0.86 ALDH1A1 (0.43) CDC7DBF4KDM4EALDH1A1SMN1; SMN2
SCHEMBL128677 0.81 CDC7 (0.46) CDC7DBF4HSD17B10KDM4EHPGD
SCHEMBL16933028 0.80 CDC7 (0.60) CDC7DBF4HSD17B10KDM4EHPGD
SCHEMBL130300 0.79 MAPK1 (0.43) HSD17B10KDM4EHPGDALDH1A1GAA
SCHEMBL131458 0.79 CDC7 (0.46) CDC7DBF4HSD17B10KDM4EHPGD
SCHEMBL1641657 0.79 CDC7 (0.44) CDC7DBF4HSD17B10KDM4EHPGD
SCHEMBL10272646 0.79 ALDH1A1 (0.46) CDC7DBF4HSD17B10KDM4EHPGD
SCHEMBL5879520 0.79 ALDH1A1 (0.50) CDC7DBF4KDM4EHPGDALDH1A1
SCHEMBL5326662 0.77 SMN1; SMN2 (0.46) CDC7DBF4HSD17B10KDM4EHPGD
SCHEMBL528192 0.77 HCAR2 (0.55) CDC7DBF4HSD17B10KDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CDC7 2619/4885DBF4 4124/4885HSD17B10 76/4885

“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.