SCHEMBL1769520

SCHEMBL1769520

CC(C)(C)OC(=O)N1CCNCC1c1ccc(C2=NNC(=O)CC2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.40
PDE3B Q13370 5/20 0.39
PDE3A Q14432 5/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL1769932 0.80 KDR (0.39) TACR1HTR2AHTR2CHTR2B
SCHEMBL1769797 0.77 TACR1 (0.43) TACR1HTR2AHTR2CHTR2B
SCHEMBL12649079 0.76 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL13647340 0.73 TACR1 (0.59) TACR1HTR2AHTR2CHTR2B
SCHEMBL28052467 0.70 TACR1 (0.40) TACR1HTR2AHTR2CHTR2B
SCHEMBL30502301 0.69 HTR2C (0.44) TACR1HTR2AHTR2CHTR2B
SCHEMBL6630997 0.69 HTR2C (0.39) TACR1HTR2AHTR2CHTR2B
SCHEMBL25913721 0.69 DPP4 (0.47) TACR1
SCHEMBL3697218 0.69 DPP4 (0.47) TACR1
SCHEMBL30442305 0.69 PARP1 (0.40) TACR1HTR2AHTR2CHTR2B

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-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 TACR1 3901/4885PDE3B 3200/4885PDE3A 3115/4885
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF CYP3A5, PDXK, HCCS TACR1 3888/4885PDE3B 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.