SCHEMBL4593760

SCHEMBL4593760

CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(NC3CCSCC3)n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.78
BRD4 O60885 2/20 0.55
BRDT Q58F21 2/20 0.55
BRD2 P25440 1/20 0.55
BRD3 Q15059 1/20 0.55
MAPK13 O15264 3/20 0.53
CSNK1D P48730 3/20 0.53
MAPK12 P53778 3/20 0.53
MAPK11 Q15759 3/20 0.53
EGFR P00533 2/20 0.53
CSNK1E P49674 1/20 0.53
KCNH2 Q12809 1/20 0.53
PRKD3 O94806 2/20 0.52
MAP4K4 O95819 2/20 0.52
LCK P06239 2/20 0.52
MAPK9 P45984 2/20 0.52
CSNK1A1 P48729 2/20 0.52
MINK1 Q8N4C8 2/20 0.52
PRKD2 Q9BZL6 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52

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
SCHEMBL6969297 0.91 MAPK14 (0.75) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL29841930 0.90 MAPK14 (0.67) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL28601290 0.90 MAPK14 (0.67) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL27441160 0.88 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6962054 0.87 MAPK14 (0.71) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6962734 0.86 MAPK14 (0.75) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4585618 0.85 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4915665 0.85 MAPK14 (0.80) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL28607656 0.84 MAPK14 (0.70) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL28608792 0.84 MAPK14 (0.70) MAPK14BRD4BRDTBRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831830-B1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase PROTTER ANDREW A 2008-02-14 US disclosed
US-7268139-B2 Methods of promoting osteogenesis SCIOS, INC. (US) 2007-09-11 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
EP-1676574-A2 Methods for promoting survival of transplanted tissues and cells Johnson & Johnson Vision Care, Inc. (US) 2006-07-05 EP disclosed
US-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase SCIOS INC. 2006-01-26 US disclosed
US-20050129729-A1 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. 2005-06-16 US disclosed
EP-1539121-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2005-06-15 EP disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed
EP-1314728-A1 Pyridyl and pyrimidinyl imines as intermediates for imidazole derivatives SMITHKLINE BEECHAM CORPORATION (US) 2003-05-28 EP disclosed
EP-0831830-B1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-6387898-B1 USING IMIDAZOLE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-05-14 US disclosed
US-6218537-B1 Process for making pyridyl and pyrimidine substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2001-04-17 US disclosed
EP-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed
US-5869660-A Process of preparing imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-09 US disclosed
US-5739143-A Imidazole compounds and compositions SMITHKLINE BEECHAM CORPORATION (US) 1998-04-14 US disclosed
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 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-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase MAPKAPK5, MAPK1, MAPKAPK2 MAPK14 36/4885BRD4 1349/4885BRDT 3829/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK14 23/4885BRD4 1516/4885BRDT 2959/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885BRD4 3147/4885BRDT 2899/4885

“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.