SCHEMBL6173737

SCHEMBL6173737

OC1CCCC1N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 19/20 1.00
MAPK14 Q16539 19/20 1.00
MAP4K4 O95819 1/20 0.49
EGFR P00533 1/20 0.49
PRKACA P17612 1/20 0.49
FRK P42685 1/20 0.49
MAPK9 P45984 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
MINK1 Q8N4C8 1/20 0.49

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
Fumaric Acid SCHEMBL6701760 0.93 MAPK11 (0.87) MAPK11MAPK14MAP4K4EGFRPRKACA
Fumaric Acid SCHEMBL6701770 0.93 MAPK11 (0.87) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL14411732 0.85 MAPK11 (0.75) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL6210836 0.85 MAPK11 (0.77) MAPK11MAPK14
SCHEMBL6210833 0.85 MAPK11 (0.77) MAPK11MAPK14
SCHEMBL6701766 0.84 MAPK11 (0.72) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL14411731 0.84 MAPK11 (0.74) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL185300 0.83 MAPK11 (1.00) MAPK11MAPK14
SCHEMBL29798827 0.83 MAPK11 (1.00) MAPK11MAPK14
SCHEMBL14519351 0.81 MAPK11 (1.00) MAPK11MAPK14MAP4K4EGFRPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511743-A1 PYRAZOLE-DERIVATIVES AS P38 KINASE INHIBITORS Pharmacia Corporation (US) 2005-03-09 EP disclosed
US-20040082551-A1 Novel pyrazoles and their use as p38 kinase inhibitors PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003104223-A1 PYRAZOLE-DERIVATIVES AS P38 KINASE INHIBITORS PHARMACIA CORPORATION (US) 2003-12-18 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-20040082551-A1 Novel pyrazoles and their use as p38 kinase inhibitors MAPK1, MAPK3, MAP3K1 MAPK11 42/4885MAPK14 31/4885MAP4K4 35/4885

“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.