SCHEMBL127895

SCHEMBL127895

[CH2]Cc1cnc(C(=O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP11B1 P15538 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK5 Q00535 1/20 0.30
EGFR P00533 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL7374226 0.79 HCAR2 (0.35) HCAR2SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL127464 0.77 ALDH1A1 (0.42) SMN1; SMN2SMYD3KDM4EALDH1A1HDAC6
SCHEMBL11393869 0.76 FDPS (0.46) HCAR2SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL12631200 0.75 ALDH1A1 (0.41) HCAR2SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL131458 0.74 CDC7 (0.46) SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL131132 0.73 DYRK1A (0.35) SMYD3KDM4EALDH1A1
SCHEMBL741431 0.73 ALDH1A1 (0.40) HCAR2SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL19224495 0.73 LMNA (0.56) SMN1; SMN2CYP11B1EGFRKDM4EALDH1A1
SCHEMBL2470951 0.72 KDM4E (0.33) HCAR2SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL21199834 0.72 CCNE1 (0.52) HCAR2SMN1; SMN2CCNE1CDK2CDK5

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 5 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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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 HCAR2 99/4885SMN1; SMN2 4613/4885CYP11B1 69/4885

“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.