SCHEMBL13071051

SCHEMBL13071051

O=c1ccc(-c2ccc(N3CCCC3)c(C(F)(F)F)c2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 7/20 0.62
▸ PDE3B Q13370 7/20 0.51
▸ PDE3A Q14432 7/20 0.51
▸ KDR P35968 1/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL13071050 0.99 NOTUM (0.61) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL1769796 0.99 NOTUM (0.61) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL13071350 0.90 NOTUM (0.54) NOTUMPDE3BPDE3AKDR
SCHEMBL12649035 0.90 NOTUM (0.51) NOTUMPDE3BPDE3AKDRPDE4A
SCHEMBL26699650 0.90 NOTUM (0.51) NOTUMPDE3BPDE3AKDRPDE4A
SCHEMBL12648793 0.89 NOTUM (0.65) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL1769904 0.89 PDE3B (0.55) NOTUMPDE3BPDE3A
SCHEMBL1769918 0.88 PDE3B (0.59) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL13070902 0.86 PDE3B (0.60) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL25698377 0.85 NOTUM (0.47) NOTUMPDE3BPDE3AKDRHRH3

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 7 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
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 (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-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF CYP3A5, PDXK, HCCS NOTUM 3416/4885PDE3B 3489/4885PDE3A 3440/4885

“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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