SCHEMBL4335582

SCHEMBL4335582

COc1ccc(C(OC)C(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
BRAF P15056 1/20 0.50
KDR P35968 1/20 0.50
MAPK14 Q16539 8/20 0.47
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
ALOX5 P09917 1/20 0.41
GCGR P47871 1/20 0.41
MAPT P10636 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
GRM5 P41594 1/20 0.39
NAMPT P43490 1/20 0.38
RIPK3 Q9Y572 1/20 0.38

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
SCHEMBL4339540 0.90 MAPK14 (0.48) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL6176467 0.90 SRC (0.49) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL6178505 0.89 ROCK1 (0.44) SRCBRAFKDRMAPK14
SCHEMBL6180262 0.83 MAPK14 (0.56) SRCBRAFKDRMAPK14MAPT
SCHEMBL6178431 0.83 MAPK14 (0.53) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL6176790 0.82 MAPK14 (0.52) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL6175422 0.82 MAPK14 (0.52) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL6178590 0.81 MAPK14 (0.56) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL6177933 0.79 MAPK14 (0.47) SRCBRAFKDRMAPK14MAPK13
SCHEMBL6178643 0.78 MAPK14 (0.48) SRCBRAFKDRMAPK14CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US claimed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP claimed
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP 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-20090192164-A1 Treating agent of inflammatory bowel disease MAPK6, SLC10A2, MAP3K6 SRC 290/4885BRAF 1807/4885KDR 4314/4885

“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.