SCHEMBL17488358

SCHEMBL17488358

CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 18/20 0.79
MAPK12 P53778 18/20 0.79
MAPK11 Q15759 18/20 0.79
MAPK14 Q16539 18/20 0.79
JAK2 O60674 1/20 0.69
GAA P10253 1/20 0.67

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
SCHEMBL13791346 0.89 MAPK14 (0.79) MAPK13MAPK12MAPK11MAPK14
SCHEMBL1012719 0.89 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL28942120 0.88 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL25793170 0.86 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL18655321 0.86 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL5164195 0.85 CDK8 (0.80) MAPK13MAPK12MAPK11MAPK14JAK2
Hydrochloric Acid SCHEMBL29397175 0.84 CDK8 (0.78) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL3187040 0.83 MAPK14 (0.73) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL27640941 0.83 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL18324914 0.82 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9820976-B2 1-(5-tert-butyl-2-phenyl-2H-pyrazol-3-yl)-3-[2-fluoro-4-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)-phenyl]-urea and related compounds and their use in therapy CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-11-21 US disclosed
US-20170079963-A1 1-(5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHENYL]-UREA AND RELATED COMPOUNDS AND THEIR USE IN THERAPY INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-03-23 US disclosed
US-9439893-B2 1-(5-tert-butyl-2-phenyl-2H-pyrazol-3-yl)-3-[2-fluoro-4-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-B]pyridin-7-yloxy)-phenyl]-urea and related compounds and their use in therapy CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-09-13 US disclosed
US-20160030405-A1 1-(5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHENYL]-UREA AND RELATED COMPOUNDS AND THEIR USE IN THERAPY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-02-04 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-20170079963-A1 1-(5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHENYL]-UREA AND RELATED COMPOUNDS AND THEIR USE IN THERAPY KRAS, NRAS, HRAS MAPK13 247/4885MAPK12 362/4885MAPK11 262/4885
US-20160030405-A1 1-(5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHENYL]-UREA AND RELATED COMPOUNDS AND THEIR USE IN THERAPY KRAS, NRAS, HRAS MAPK13 247/4885MAPK12 362/4885MAPK11 262/4885

“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.