SCHEMBL129303

SCHEMBL129303

[CH2]Cc1cccnc1C(C)(C)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SLC13A5 Q86YT5 4/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL129207 0.80 KDM4E (0.39) CYP3A4TSHRCYP1A2KDM4EMAPT
SCHEMBL128382 0.77 CD38 (0.36) CYP1A2KDM4EMAPT
SCHEMBL130123 0.75 CYP3A4 (0.35) GRM4CYP3A4TSHRCYP2C19KDM4E
SCHEMBL5038676 0.72 ALDH1A1 (0.44) GRM4CYP3A4TSHRCYP2C19KDM4E
SCHEMBL130124 0.72 NOS3 (0.50) GRM4CYP3A4TSHRCYP2C19KDM4E
SCHEMBL30816293 0.72 NOS3 (0.50) GRM4CYP3A4TSHRCYP2C19KDM4E
SCHEMBL23126660 0.71 ACSS2 (0.36) GRM4CYP3A4TSHRCYP2C19KDM4E
SCHEMBL16836001 0.71 SMN1; SMN2 (0.35) GRM4CYP3A4TSHRCYP2C19KDM4E
SCHEMBL18668145 0.71 HSD11B1 (0.39) GRM4CYP3A4TSHRCYP2C19KDM4E
SCHEMBL3378717 0.71 NOS3 (0.39) GRM4CYP3A4TSHRCYP2C19CYP1A2

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 GRM4 1531/4885CYP3A4 91/4885TSHR 1420/4885

“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.