SCHEMBL4584865

SCHEMBL4584865

Cn1cnc(-c2ccccc2)c1-c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 2/20 1.00
MAPK14 Q16539 9/20 0.71
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
FRK P42685 1/20 0.58
MAPK9 P45984 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
GSK3B P49841 1/20 0.58
PRKD2 Q9BZL6 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58
MAPK13 O15264 8/20 0.47
MAPK12 P53778 8/20 0.47
MAPK11 Q15759 8/20 0.47
NOTUM Q6P988 1/20 0.47
TGFBR1 P36897 1/20 0.46
TSHR P16473 1/20 0.45
NSD2 O96028 2/20 0.45
FLT1 P17948 2/20 0.45
KDR P35968 2/20 0.45

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
SCHEMBL1009513 0.91 NSD3 (0.83) NSD3MAPK14PRKD3MAP4K4FRK
SCHEMBL29874438 0.89 NSD3 (0.80) NSD3MAPK14PRKD3MAP4K4FRK
SCHEMBL27335372 0.83 MAPK14 (1.00) NSD3MAPK14MAP4K4MAPK9CSNK1A1
SCHEMBL4913209 0.80 NSD3 (0.66) NSD3MAPK14PRKD3MAP4K4FRK
SCHEMBL4916695 0.79 NSD3 (0.65) NSD3MAPK14PRKD3MAP4K4FRK
SCHEMBL7715109 0.78 NSD3 (0.64) NSD3MAPK14PRKD3MAP4K4FRK
SCHEMBL6419816 0.77 NSD3 (0.62) NSD3MAPK14PRKD3MAP4K4FRK
SCHEMBL27915597 0.74 NSD3 (0.58) NSD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL4767226 0.73 KDR (0.59) NSD3MAPK14PRKD3MAP4K4FRK
SCHEMBL4767231 0.73 KDR (0.59) NSD3MAPK14PRKD3MAP4K4FRK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708768-B1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
CN-1050126-C Tri-substituted imidazoles, their preparation and use and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORP (US) 2000-03-08 CN claimed
CN-1129447-A Trisubstituted imidazoles having multiple therapeutic effects SMITHKLINE BEECHAM CORP (US) 1996-08-21 CN claimed
CN-1083473-A New imidazolium compounds and pharmaceutical composition thereof SMITHKLINE BEECHAM CORP (US) 1994-03-09 CN claimed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP 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-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
US-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 US disclosed
US-5663334-A CYTOKINE INHIBITORS FORMED BY REACTION OF IMINE WITH SULFUR SUBSTITUTED NITRILE SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5593991-A ANTIINFLAMMATORY, CYTOKINE INHIBITOR, CYCLOOXYGENASE INHIBITOR SMITHKLINE BEECHAM CORPORATION 1997-01-14 US disclosed
US-5593992-A CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-14 US disclosed
CN-1129447-A Trisubstituted imidazoles having multiple therapeutic effects SMITHKLINE BEECHAM CORP (US) 1996-08-21 CN disclosed
CN-1083473-A New imidazolium compounds and pharmaceutical composition thereof SMITHKLINE BEECHAM CORP (US) 1994-03-09 CN 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 NSD3 4495/4885MAPK14 36/4885PRKD3 117/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 NSD3 3314/4885MAPK14 23/4885PRKD3 196/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 NSD3 3653/4885MAPK14 36/4885PRKD3 568/4885

“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.