SCHEMBL3424712

SCHEMBL3424712

CCOC(=O)c1ccc2[nH]c(-c3cc(-c4ccncc4)nnc3OC)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
MMP13 P45452 4/20 0.50
MMP2 P08253 3/20 0.50
MMP14 P50281 2/20 0.50
IMPDH2 P12268 1/20 0.48
CASP1 P29466 1/20 0.47
GCGR P47871 1/20 0.45
MAPK14 Q16539 1/20 0.45
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALOX5 P09917 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL3424201 0.89 HRH3 (0.42) PKN1PKN2MMP13MMP2MMP14
SCHEMBL3425389 0.86 HRH3 (0.46) PKN1PKN2MMP13MMP2MMP14
SCHEMBL3425872 0.82 PKN1 (0.51) PKN1PKN2MMP13MMP2MMP14
SCHEMBL3427280 0.81 MAPK1 (0.48) PKN1PKN2MMP13MMP2MMP14
SCHEMBL3428216 0.76 F2 (0.42) HRH3
SCHEMBL1751049 0.76 GSK3B (0.36) GCGRMAPK14KDM4EALDH1A1RAB9A
SCHEMBL3428101 0.76 MAPK1 (0.43) PKN1PKN2IMPDH2CASP1GCGR
Trifluoroacetic Acid SCHEMBL1749441 0.74 SLC22A12 (0.48) CDC7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7848024 0.73 HRH3 (0.55) PKN1PKN2MMP13MMP2MMP14
SCHEMBL1260807 0.73 TUBB4A (0.72) MMP13MMP2HRH3TUBB4ATUBB

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
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
EP-1753743-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 WO 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK PKN1 29/4885PKN2 8/4885MMP13 2309/4885

“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.