SCHEMBL445784

SCHEMBL445784

COc1cc(C(N)=O)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.56
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
PARP1 P09874 3/20 0.49
LOX P28300 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
MAPK1 P28482 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
PROKR1 Q8TCW9 1/20 0.45
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5C P41229 1/20 0.44

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
SCHEMBL30281222 1.00 NNMT (0.56) NNMTMKNK1MKNK2KCNK3KCNK9
SCHEMBL9952643 0.98 NNMT (0.54) NNMTMKNK1MKNK2KCNK3KCNK9
Hydrochloric Acid SCHEMBL7022071 0.98 NNMT (0.54) NNMTMKNK1MKNK2KCNK3KCNK9
Trifluoroacetic Acid SCHEMBL16761281 0.89 NNMT (0.46) NNMTMKNK1MKNK2KCNK3KCNK9
SCHEMBL9952590 0.86 KCNK3 (0.48) NNMTMKNK1MKNK2KCNK3KCNK9
SCHEMBL27841468 0.85 KCNK3 (0.52) NNMTKCNK3KCNK9LOXLOXL2
SCHEMBL29640109 0.83 KCNK3 (0.55) NNMTKCNK3KCNK9LOXLOXL2
SCHEMBL229446 0.83 KDM4C (0.57) KCNK3KCNK9LOXLOXL2MAPK1
SCHEMBL29556902 0.83 KDM4C (0.57) KCNK3KCNK9LOXLOXL2MAPK1
SCHEMBL12640026 0.83 KCNK3 (0.55) NNMTKCNK3KCNK9LOXLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077380-B1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI SA (FR) 2018-07-25 EP claimed
US-9776991-B2 Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase SANOFI (FR) 2017-10-03 US claimed
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2017-08-24 US claimed
US-9580438-B2 Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders 4SC DISCOVERY GMBH (DE) 2017-02-28 US claimed
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2016-11-10 US claimed
EP-3077380-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE Sanofi (FR) 2016-10-12 EP claimed
US-20150158878-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2015-06-11 US claimed
WO-2015082474-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2015-06-11 WO claimed
EP-2881390-A1 Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase SANOFI (FR) 2015-06-10 EP claimed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US claimed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO claimed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-24 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
WO-2002064578-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 NNMT 122/4885MKNK1 2996/4885MKNK2 2842/4885
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS CNKSR1, TYK2, ERBB2 NNMT 737/4885MKNK1 310/4885MKNK2 407/4885
US-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 NNMT 150/4885MKNK1 4362/4885MKNK2 4429/4885
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors MMP15, MMP13, MMP3 NNMT 1442/4885MKNK1 2077/4885MKNK2 1854/4885
US-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 NNMT 4760/4885MKNK1 4596/4885MKNK2 4438/4885
US-20150158878-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS CHUK, KYNU, BLK NNMT 1372/4885MKNK1 361/4885MKNK2 519/4885
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, LTA4H NNMT 2450/4885MKNK1 4235/4885MKNK2 3398/4885

“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.