SCHEMBL130180

SCHEMBL130180

[CH2]Cc1ccnc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.67
LOX P28300 4/20 0.67
FFAR1 O14842 1/20 0.39
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
GSK3B P49841 3/20 0.36
GSK3A P49840 2/20 0.36
LRRK2 Q5S007 1/20 0.36
SLC13A5 Q86YT5 1/20 0.35
ACACB O00763 1/20 0.35
CDK2 P24941 2/20 0.35
GRM2 Q14416 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
DYRK1A Q13627 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
PLA2G7 Q13093 1/20 0.34

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
SCHEMBL134512 0.82 LOXL2 (0.46) LOXL2LOXACACB
SCHEMBL805488 0.82 LOXL2 (0.69) LOXL2LOXFFAR1CCR1CCR5
SCHEMBL2092739 0.81 LOXL2 (0.62) LOXL2LOXFFAR1CCR1CCR5
SCHEMBL29411741 0.80 LOXL2 (0.67) LOXL2LOXFFAR1CCR1CCR5
SCHEMBL449200 0.80 LOXL2 (1.00) LOXL2LOX
SCHEMBL29975842 0.80 LOXL2 (0.67) LOXL2LOXFFAR1CCR1CCR5
SCHEMBL29841247 0.80 LOXL2 (0.67) LOXL2LOXFFAR1CCR1CCR5
SCHEMBL2092744 0.80 LOXL2 (0.67) LOXL2LOXFFAR1CCR1CCR5
SCHEMBL17752 0.80 LOXL2 (0.67) LOXL2LOXFFAR1CCR1CCR5
SCHEMBL2224895 0.80 LOXL2 (0.67) LOXL2LOXFFAR1CCR1CCR5

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
WO-2016029454-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
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 LOXL2 957/4885LOX 214/4885FFAR1 1470/4885

“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.