SCHEMBL6235520

SCHEMBL6235520

CC(C)c1cc(-c2ccncc2)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
GCGR P47871 2/20 0.42
CDC7 O00311 2/20 0.42
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
GSK3B P49841 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
EGFR P00533 1/20 0.35
AXL P30530 1/20 0.35
KEAP1 Q14145 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL2822471 0.83 RAB9A (0.55) TDP1POLBSMN1; SMN2LMNARAB9A
SCHEMBL11965493 0.81 SMN1; SMN2 (0.58) POLBGSK3BSMN1; SMN2LMNARAB9A
SCHEMBL31466033 0.81 PDPK1 (0.42) PDPK1GCGRPOLBLMNARAB9A
SCHEMBL9920689 0.80 AXL (0.57) POLBSMN1; SMN2RAB9AMAPTEGFR
SCHEMBL10022326 0.80 CYP3A4 (0.54) GSK3BROCK1MAPK8MAPK9AXL
SCHEMBL30579362 0.80 CYP3A4 (0.54) GSK3BROCK1MAPK8MAPK9AXL
SCHEMBL22820478 0.77 MAPT (0.63) TDP1POLBGSK3BSMN1; SMN2LMNA
SCHEMBL21346071 0.77 AXL (0.46) GCGRSMN1; SMN2RAB9AMAPTMKNK1
SCHEMBL15500946 0.76 CDC7 (0.37) CDC7GSK3BMAPK9MAPK10EGFR
SCHEMBL10022387 0.75 RAB9A (0.51) GCGRTDP1POLBGSK3BRAB9A

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-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US 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-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (4 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 PDPK1 4667/4885GCGR 3794/4885CDC7 4008/4885
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 PDPK1 83/4885GCGR 191/4885CDC7 616/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 PDPK1 3441/4885GCGR 1832/4885CDC7 4830/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 PDPK1 3284/4885GCGR 2086/4885CDC7 4856/4885

“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.