SCHEMBL12649105

SCHEMBL12649105

O=c1ccc(-c2ccc(N3CCC(CCO)CC3)c(C(F)(F)F)c2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.47
▸ PDE3A Q14432 9/20 0.47
▸ NOTUM Q6P988 4/20 0.45
▸ ITGB2 P05107 4/20 0.45
▸ ICAM1 P05362 4/20 0.45
▸ ITGAL P20701 4/20 0.45
▸ KDR P35968 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL26699684 0.89 PDE3B (0.45) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL1769918 0.88 PDE3B (0.59) PDE3BPDE3ANOTUMITGB2ICAM1
SCHEMBL29113210 0.88 PDE3B (0.46) PDE3BPDE3ANOTUMKDR
SCHEMBL29113209 0.88 PDE3B (0.44) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL12648799 0.85 NOTUM (0.47) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL12595911 0.85 LMNA (0.41) PDE3BPDE3AITGB2ICAM1ITGAL
SCHEMBL14767785 0.85 PDE3B (0.46) PDE3BPDE3ANOTUMITGB2ICAM1
SCHEMBL12649067 0.85 PDE3B (0.46) PDE3BPDE3ANOTUMITGB2ICAM1
SCHEMBL13071051 0.84 NOTUM (0.62) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL13071049 0.83 PDE3B (0.59) PDE3BPDE3ANOTUMITGB2ICAM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212146-B2 Substituted pyridazinones for the treatment of tumors SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-15 — — US disclosed
US-9212146-B2 Substituted pyridazinones for the treatment of tumors SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-15 — — US disclosed
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES 2013-10-24 — — US disclosed
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES 2013-10-24 — — US disclosed
US-8501731-B2 Derivatives of 6[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one having antitumor activity SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-06 — — US disclosed
EP-2253625-B1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2013-03-13 — — EP disclosed
US-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2011-05-12 — — US disclosed
EP-2253625-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2010-11-24 — — 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 (2 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-20110112061-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF PDXK, PNPO, HCCS PDE3B 3200/4885PDE3A 3115/4885NOTUM 3704/4885
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF CYP3A5, PDXK, HCCS PDE3B 3489/4885PDE3A 3440/4885NOTUM 3416/4885

“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.

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