SCHEMBL2415199

SCHEMBL2415199

COc1c(Cl)cc(Cl)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA4 P22748 2/20 0.46
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 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
SCHEMBL30930936 0.88 CA2 (0.52) CA2CA4KMT2AHSD17B10TSHR
SCHEMBL54507 0.83 KMT2A (0.47) CA2KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL11271329 0.80 ATM (0.45) CA2CA4KMT2AALDH1A1HSD17B10
SCHEMBL29582345 0.78 CA2 (0.43) CA2CA4KMT2AHSD17B10TSHR
SCHEMBL21830277 0.78 CA2 (0.48) CA2CA4KMT2AALDH1A1HSD17B10
SCHEMBL10755122 0.78 CA2 (0.43) CA2CA4ALDH1A1HSD17B10KDM4E
SCHEMBL15561614 0.78 CA2 (0.43) CA2CA4KMT2AHSD17B10TSHR
SCHEMBL7043542 0.78 CA2 (0.43) CA2CA4ALDH1A1HSD17B10KDM4E
SCHEMBL7733849 0.78 CA2 (0.43) CA2CA4KMT2AALDH1A1HSD17B10
SCHEMBL4931686 0.78 TPMT (0.55) CA2CA4ALDH1A1HSD17B10TSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468961-B1 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2020-06-10 EP disclosed
US-10550100-B2 5-[3-[piperzin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating E.G. osteoarthritis GALAPAGOS NV (BE) 2020-02-04 US disclosed
US-20190300503-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-10-03 US disclosed
EP-1945630-B1 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2011-09-21 EP disclosed
EP-1945630-B1 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2011-09-21 EP disclosed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 US disclosed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 US disclosed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 US disclosed
CN-101501005-A Arylaminoaryl-alkyl-substituted imidazolidine-2, 4-diones, processes for their preparation, medicaments comprising these compounds and their use SANOFI AVENTIS (FR) 2009-08-05 CN disclosed
EP-1945630-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2008-07-23 EP disclosed
WO-2007052123-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-10 WO disclosed
WO-2007052123-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-10 WO disclosed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 US disclosed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 US disclosed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 US 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-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide P2RX5, P2RX3, AADAC CA2 238/4885CA4 1111/4885KMT2A 1330/4885
US-20190300503-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS ADAMTS5, ADAMTS4, ADAMTS1 CA2 3417/4885CA4 2501/4885KMT2A 1890/4885
US-10550100-B2 5-[3-[piperzin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating E.G. osteoarthritis ADAMTS5, ADAMTS4, ADAMTS1 CA2 3097/4885CA4 1652/4885KMT2A 1691/4885

“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.