SCHEMBL6683386

SCHEMBL6683386

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 1.00
MAPK12 P53778 8/20 1.00
MAPK13 O15264 7/20 1.00
MAPK11 Q15759 7/20 1.00
DDR2 Q16832 1/20 0.74
CDK8 P49336 1/20 0.62
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
PTK2 Q05397 1/20 0.61
PTK2B Q14289 1/20 0.60

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
SCHEMBL2083537 0.89 MAPK14 (0.81) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL15925270 0.88 MAPK14 (0.78) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL2617010 0.88 MAPK14 (0.78) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL2081728 0.88 MAPK14 (0.78) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL13576975 0.86 MAPK14 (0.74) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL16866507 0.85 MAPK14 (0.76) MAPK14MAPK12MAPK13MAPK11
SCHEMBL12245431 0.85 MAPK14 (1.00) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL2085016 0.84 MAPK14 (0.74) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL18324914 0.84 MAPK14 (1.00) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL2083616 0.83 MAPK14 (0.71) MAPK14MAPK12MAPK13MAPK11DDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1473292-A1 Aromatic heterocyclic compounds as anti-inflammatory agents Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2004-11-03 EP claimed
US-6432995-B1 None US disclosed
EP-1473292-A1 Aromatic heterocyclic compounds as anti-inflammatory agents Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
US-6432995-B2 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR FROM CELLS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20010039290-A1 Aromatic heterocyclic compounds and their use as anti-inflammatory agents REGAN JOHN R (US) 2001-11-08 US disclosed
US-6228881-B1 THIOPHENE DERIVATIVE CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-05-08 US disclosed
EP-1028953-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-08-23 EP disclosed
US-6080763-A INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES, E.G., TUMOR NECROSIS FACTOR AND INTERLEUKIN-1; USEFUL TO TREAT CHRONIC INFLAMMATORY DISEASE; AUTOIMMUNE DISEASES, E.G. RHEUMATOID ARTHRITIS, OSTEOPOROSIS; PYRAZOLYLUREAS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-06-27 US disclosed
WO-1999023091-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-05-14 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 (1 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-20010039290-A1 Aromatic heterocyclic compounds and their use as anti-inflammatory agents IL1A, IL1B, TNF MAPK14 1062/4885MAPK12 797/4885MAPK13 1221/4885

“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.