SCHEMBL1769904

SCHEMBL1769904

CN1CCN(c2ccc(-c3ccc(=O)[nH]n3)cc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.55
▸ PDE3A Q14432 3/20 0.55
▸ ASIC3 Q9UHC3 1/20 0.52
▸ NOTUM Q6P988 4/20 0.50
▸ CCNA2 P20248 6/20 0.45
▸ CDK2 P24941 6/20 0.45
▸ CCNA1 P78396 6/20 0.45
▸ WDR5 P61964 1/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCND3 P30281 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ MTOR P42345 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ SYK P43405 1/20 0.43

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
SCHEMBL13071051 0.89 NOTUM (0.62) PDE3BPDE3ANOTUM
SCHEMBL13071050 0.88 NOTUM (0.61) PDE3BPDE3ANOTUM
SCHEMBL1769796 0.88 NOTUM (0.61) PDE3BPDE3ANOTUM
SCHEMBL26699650 0.87 NOTUM (0.51) PDE3BPDE3ANOTUM
SCHEMBL12649035 0.87 NOTUM (0.51) PDE3BPDE3AASIC3NOTUM
SCHEMBL13071350 0.87 NOTUM (0.54) PDE3BPDE3AASIC3NOTUMMTOR
SCHEMBL12648799 0.87 NOTUM (0.47) PDE3BPDE3AASIC3NOTUM
SCHEMBL12648793 0.86 NOTUM (0.65) PDE3BPDE3ANOTUMFLT3SYK
SCHEMBL1769918 0.85 PDE3B (0.59) PDE3BPDE3ANOTUM
SCHEMBL12648934 0.83 NOTUM (0.44) PDE3BPDE3ANOTUMWDR5

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 14 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-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-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
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-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
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
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 3115/4885ASIC3 4713/4885
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF CYP3A5, PDXK, HCCS PDE3B 3489/4885PDE3A 3440/4885ASIC3 4730/4885

“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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