SCHEMBL6901370

SCHEMBL6901370

Cc1ccc(-n2cc(O)c(=O)cc2N)cc1-c1ccc2cn[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.48
DDR2 Q16832 7/20 0.42
FGFR2 P21802 3/20 0.41
FGFR3 P22607 1/20 0.41
USP7 Q93009 2/20 0.40
AR P10275 1/20 0.40
BRAF P15056 1/20 0.39
LCK P06239 1/20 0.38
BTK Q06187 1/20 0.38
TRPA1 O75762 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL22878773 0.81 BTK (0.37) BRAFLCKBTK
SCHEMBL6899246 0.78 MAT2A (0.41)
SCHEMBL6901203 0.75 TRPA1 (0.47) USP7ARBTKTRPA1
SCHEMBL14816321 0.73 METAP2 (0.46)
SCHEMBL14816278 0.71 KDM4E (0.38)
SCHEMBL14816047 0.70 DHFR (0.42) MAPK14
SCHEMBL6900136 0.70 COMT (0.36)
SCHEMBL14815910 0.69 COMT (0.39)
SCHEMBL6901156 0.68 HTT (0.40)
SCHEMBL14816043 0.66 COMT (0.48) FGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US claimed
EP-2542076-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2542076-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
US-9399651-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders Merck, Sharp & Dohme Corp. (US) 2016-07-26 US disclosed
US-9399651-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders Merck, Sharp & Dohme Corp. (US) 2016-07-26 US disclosed
US-9399651-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders Merck, Sharp & Dohme Corp. (US) 2016-07-26 US disclosed
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
WO-2011109254-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 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 (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-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT FGFR1 4389/4885DDR2 4825/4885FGFR2 4605/4885
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT FGFR1 4389/4885DDR2 4825/4885FGFR2 4605/4885

“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.