SCHEMBL1504062

SCHEMBL1504062

COC(=O)c1cc2ccc(F)cc2cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
ABL1 P00519 6/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.43
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRA4 P48169 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRE P78334 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 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
SCHEMBL212757 0.94 LCK (0.55) LCKABL1MAPK1MAPTGABRA1
SCHEMBL1535240 0.83 LCK (0.60) LCKMAPK1MAPTGABRA1GABRG2
SCHEMBL12552412 0.83 LCK (0.56) LCKMAPK1MAPTGABRA1GABRG2
SCHEMBL31413462 0.81 LCK (0.55) LCKABL1MAPK1MAPTGABRA1
SCHEMBL1202624 0.81 LCK (0.55) LCKMAPK1MAPTGABRA1GABRG2
SCHEMBL740718 0.81 LCK (0.55) LCKABL1MAPK1MAPTGABRA1
SCHEMBL27144994 0.81 LCK (0.55) LCKABL1MAPK1MAPTGABRA1
SCHEMBL214090 0.80 LCK (0.56) LCKMAPK1MAPTGABRA1GABRG2
SCHEMBL12035783 0.80 KDM4E (0.49) ABL1MAPTKDM4EALDH1A1LMNA
SCHEMBL29840564 0.80 LCK (0.56) LCKMAPK1MAPTGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
EP-2493871-B1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2014-09-03 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
US-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors PRESTWICK CHEMICAL, INC. (FR) 2012-11-01 US disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-2493871-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2012-09-05 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (7 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 LCK 4440/4885ABL1 3056/4885MAPK1 2214/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R LCK 3678/4885ABL1 1845/4885MAPK1 1864/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R LCK 3678/4885ABL1 1845/4885MAPK1 1864/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R LCK 3678/4885ABL1 1845/4885MAPK1 1864/4885
US-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM2 LCK 1377/4885ABL1 2977/4885MAPK1 780/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R LCK 3678/4885ABL1 1845/4885MAPK1 1864/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R LCK 3505/4885ABL1 1845/4885MAPK1 1758/4885

“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.