SCHEMBL4943632

SCHEMBL4943632

COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPKAPK2 P49137 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.47
HTT P42858 1/20 0.46
SETD7 Q8WTS6 1/20 0.46
CFTR P13569 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.43
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 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
SCHEMBL219153 0.84 ALDH1A1 (0.48) CYP1A2CYP2C19MAPKAPK2KDM4EERCC5
SCHEMBL1199181 0.82 CYP1A2 (0.77) CYP1A2CYP2C19KDM4EMEN1KMT2A
SCHEMBL15314440 0.82 MAPKAPK2 (0.48) CYP1A2CYP2C19MAPKAPK2KDM4EERCC5
SCHEMBL3744237 0.82 ALDH1A1 (0.64) MAPKAPK2KDM4EERCC5FEN1FFAR1
SCHEMBL4946307 0.82 LMNA (0.57) CYP1A2CYP2C19KDM4EHTTSETD7
SCHEMBL27773423 0.81 ERCC5 (0.55) CYP1A2CYP2C19MAPKAPK2ERCC5FEN1
SCHEMBL3417241 0.81 ALDH1A1 (0.67) MAPKAPK2KDM4EERCC5FEN1FFAR1
Hydrochloric Acid SCHEMBL10434191 0.81 ALDH1A1 (0.62) MAPKAPK2KDM4EERCC5FEN1FFAR1
SCHEMBL4943742 0.80 HTT (0.51) CYP1A2CYP2C19KDM4ESCN10AHTT
SCHEMBL13044141 0.80 CYP1A2 (0.49) CYP1A2CYP2C19MAPKAPK2KDM4EERCC5

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
EP-2897956-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-11-09 EP disclosed
EP-2897956-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-11-09 EP disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 US disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 US disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 US disclosed
US-9193726-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2015-11-24 US disclosed
US-9193726-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2015-11-24 US disclosed
US-8916564-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2014-12-23 US disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 US disclosed
WO-2014045156-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2014-03-27 WO disclosed
WO-2014045156-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2014-03-27 WO disclosed
US-7351843-B2 Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-04-01 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 US disclosed
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO 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 (3 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-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 CYP1A2 1319/4885CYP2C19 403/4885MAPKAPK2 2672/4885
US-20140088111-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2D6, CYP2C19 CYP1A2 33/4885CYP2C19 3/4885MAPKAPK2 2355/4885
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 CYP1A2 154/4885CYP2C19 245/4885MAPKAPK2 837/4885

“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.