SCHEMBL6640672

SCHEMBL6640672

O=C(OCCCNc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.55
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
PRKD1 Q15139 1/20 0.43
TGFBR1 P36897 2/20 0.37
TGFBR2 P37173 2/20 0.37
RIPK3 Q9Y572 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL6640667 0.86 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1994949 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD1
Hydrochloric Acid SCHEMBL6640716 0.83 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2000094 0.82 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1993559 0.82 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1996585 0.80 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD1
Trifluoroacetic Acid SCHEMBL6643238 0.77 TGFBR1 (0.55) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1995900 0.76 TGFBR1 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2001678 0.75 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PRKD1
Hydrochloric Acid SCHEMBL6640025 0.75 TGFBR1 (0.59) MAPK14MAPK13MAPK12MAPK11PRKD1

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-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 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 (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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 35/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 35/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 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.