SCHEMBL295302

SCHEMBL295302

Cc1ccc(-n2nc(C(C)(C)CO)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 1.00
TNF P01375 7/20 0.90
MAPK13 O15264 3/20 0.90
MAPK12 P53778 3/20 0.90
MAPK11 Q15759 3/20 0.90
DDR2 Q16832 2/20 0.90
CIT O14578 1/20 0.90
MUSK O15146 1/20 0.90
MAP3K7 O43318 1/20 0.90
RIPK2 O43353 1/20 0.90
STK10 O94804 1/20 0.90
MAP4K4 O95819 1/20 0.90
CHEK2 O96017 1/20 0.90
ABL1 P00519 1/20 0.90
EGFR P00533 1/20 0.90
RAF1 P04049 1/20 0.90
NTRK1 P04629 1/20 0.90
HSPB1 P04792 1/20 0.90
PRKCB P05771 1/20 0.90
LCK P06239 1/20 0.90

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
Doramapimod SCHEMBL129721 0.95 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11
Doramapimod SCHEMBL29353023 0.95 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11
Doramapimod SCHEMBL10320344 0.94 MAPK14 (0.98) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL5967528 0.92 MAPK14 (0.89) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL5967533 0.92 MAPK14 (0.89) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL5967541 0.91 MAPK14 (0.88) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL20876996 0.91 MAPK14 (0.93) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL14185084 0.90 MAPK14 (0.91) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6330722 0.90 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL5967540 0.90 MAPK14 (0.82) MAPK14TNFMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709965-A2 Methods of treating cytokine mediate diseases Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-10-11 EP claimed
US-6916814-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-12 US claimed
US-6525046-B1 Inhibits inflammatory cytokines such as interleukin-1 and tumor necrosis factor; 1-(5-(2-hydroxy-1,1-dimethyl-ethyl) -2-p-tolyl-2H-pyrazol-3-yl)-3- (4-(2- morpholin-4-yl-ethoxy)-naphthalen-1-yl)-urea BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-02-25 US claimed
US-20020058678-A1 Aromatic heterocyclic compounds as antiinflammatory agents CIRILLO PIER F (US) 2002-05-16 US claimed
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed
EP-1709965-A2 Methods of treating cytokine mediate diseases Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-10-11 EP disclosed
US-6916814-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20040152725-A1 Methods of treating cancer BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-08-05 US disclosed
US-6506748-B2 For therapy of diseases or pathological conditions involving inflammation such as chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
US-6492529-B1 PHARMACEUTIC COMPOSITIONS FOR TREATING DISEASES OR PATHOLOGICAL CONDITIONS INVOLVING INFLAMMATION SUCH AS CHRONIC INFLAMMATORY DISEASES. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-6372773-B1 TREATMENT OF INFLAMMATION, ARTHRITIS WITH UREA OR THIOUREA HETEROCYCLES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-04-16 US disclosed
US-6333325-B1 ADMINISTERING PYRAZOLE DERIVATIVE OF UREA OR THIOUREA FOR THERAPY OF CYTOKINE MEDIATED DISEASE SUCH AS ACTUATE AND CHRONIC PAIN, CONTACT DERMATITIS, ATHEROSCLEROSIS, GLOMERULONEPHRITIS, REPERFUSION INJURY, BONE RESORPTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-12-25 US disclosed
US-6329415-B1 INHIBIT RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6319921-B1 FOR TREATMENT OF RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, CROHN'S DISEASE ULCERATIVE COLITIS, PSORIASIS, GRAFT VERSUS HOST DISEASE, SYSTEMIC LUPUS ERYTHEMATOSUS AND DIABETES BOERHINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-20 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 (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-20020058678-A1 Aromatic heterocyclic compounds as antiinflammatory agents FPR1, AHR, FPR2 MAPK14 3755/4885TNF 236/4885MAPK13 3792/4885
US-20040152725-A1 Methods of treating cancer IL2, IL36G, IFNG MAPK14 3691/4885TNF 54/4885MAPK13 4084/4885

“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.