SCHEMBL1769751

SCHEMBL1769751

COc1ccc(-c2ccc(=O)[nH]n2)cc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.70
PDE4B Q07343 4/20 0.70
PDE4C Q08493 4/20 0.70
PDE4D Q08499 4/20 0.70
PDE3B Q13370 6/20 0.63
PDE3A Q14432 6/20 0.63
LMNA P02545 3/20 0.63
CYP1A2 P05177 2/20 0.63
TP53 P04637 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDR P35968 1/20 0.46

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
SCHEMBL13070912 0.88 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12649044 0.86 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12648866 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12649043 0.84 PDE3B (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12649041 0.83 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8479743 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13070907 0.83 NOTUM (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL1769717 0.82 NOTUM (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12649115 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13071039 0.81 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B

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 PDE4A 3204/4885PDE4B 3141/4885PDE4C 3497/4885
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF CYP3A5, PDXK, HCCS PDE4A 3588/4885PDE4B 3381/4885PDE4C 3793/4885

“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.