SCHEMBL130123

SCHEMBL130123

[CH2]c1cccnc1C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM4 Q14833 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31
SSTR4 P31391 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CFTR P13569 1/20 0.30
GOPC Q9HD26 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
SCHEMBL131218 0.77 KDM4E (0.36) CYP3A4TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL30816293 0.77 NOS3 (0.50) CYP3A4TSHRCYP2C19GRM4L3MBTL1
SCHEMBL130124 0.77 NOS3 (0.50) CYP3A4TSHRCYP2C19GRM4L3MBTL1
SCHEMBL5038676 0.77 ALDH1A1 (0.44) CYP3A4TSHRCYP2C19GRM4L3MBTL1
SCHEMBL129160 0.76 NR1H2 (0.33) L3MBTL1SMN1; SMN2
SCHEMBL24858173 0.75 CA2 (0.41) CYP3A4TSHRCYP2C19GRM4L3MBTL1
SCHEMBL3378717 0.75 NOS3 (0.39) CYP3A4TSHRCYP2C19GRM4L3MBTL1
SCHEMBL16836001 0.75 SMN1; SMN2 (0.35) CYP3A4TSHRCYP2C19GRM4L3MBTL1
SCHEMBL23126660 0.75 ACSS2 (0.36) CYP3A4TSHRCYP2C19GRM4L3MBTL1
SCHEMBL18668145 0.75 HSD11B1 (0.39) CYP3A4TSHRCYP2C19GRM4L3MBTL1

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 CYP3A4 91/4885TSHR 1420/4885CYP2C19 44/4885

“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.