SCHEMBL14767802

SCHEMBL14767802

CCOC(=O)C1CCCN(c2ccc(-c3ccc(=O)[nH]n3)cc2C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.48
▸ PDE3A Q14432 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ HTT P42858 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ S100A4 P26447 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ITGB2 P05107 1/20 0.44
▸ ICAM1 P05362 1/20 0.44
▸ ITGAL P20701 1/20 0.44

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
SCHEMBL13071053 0.89 ALDH1A1 (0.46) PDE3BPDE3AKDM4EMAPTHSD17B10
SCHEMBL13071360 0.87 PDE3B (0.52) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL12649065 0.84 KDM4E (0.42) PDE3BPDE3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13070902 0.82 PDE3B (0.60) PDE3BPDE3ANOTUM
SCHEMBL13071051 0.79 NOTUM (0.62) PDE3BPDE3AKMT2AMEN1NOTUM
SCHEMBL13071049 0.79 PDE3B (0.59) PDE3BPDE3AITGB2ICAM1ITGAL
SCHEMBL13071050 0.78 NOTUM (0.61) PDE3BPDE3AKMT2AMEN1NOTUM
SCHEMBL1769796 0.78 NOTUM (0.61) PDE3BPDE3AKMT2AMEN1NOTUM
SCHEMBL13071359 0.78 NOTUM (0.46) PDE3BPDE3ANOTUM
SCHEMBL1769918 0.77 PDE3B (0.59) PDE3BPDE3AMAPTALDH1A1KMT2A

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
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

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 PDE3B 3489/4885PDE3A 3440/4885KDM4E 1299/4885

“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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