SCHEMBL4336938

SCHEMBL4336938

O=C(Cc1ccccc1Cl)Nc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.56
MAPK1 P28482 2/20 0.48
MAPK3 P27361 1/20 0.48
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
KCNH2 Q12809 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13785091 0.87 MAPK14 (0.48) MAPK14MAPK11KCNH2RAB9AMEN1
SCHEMBL4334250 0.86 MAPK14 (0.67) MAPK14MAPK11KCNH2
SCHEMBL4331508 0.86 MAPK14 (0.48) MAPK14RAB9ANPC1ALDH1A1MEN1
SCHEMBL6176676 0.82 MAPK14 (0.76) MAPK14MAPK1MAPK3KCNJ5KCNJ3
SCHEMBL13785093 0.81 MAPK14 (0.55) MAPK14MAPK1MAPK11MAPK9MAPK10
SCHEMBL6176484 0.79 MAPK14 (0.53) MAPK14KCNJ5KCNJ3MAPK11MAPK9
SCHEMBL4331193 0.78 MAPK14 (0.54) MAPK14MAPK1MAPK11ALDH1A1MEN1
SCHEMBL4338017 0.78 MAPK14 (0.55) MAPK14KCNJ5KCNJ3MAPK11MAPK9
SCHEMBL6176141 0.77 MAPK14 (0.54) MAPK14ALDH1A1MEN1KMT2A
SCHEMBL4336943 0.76 MAPK14 (0.46) MAPK14MAPK1MAPK11KCNH2

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 6 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
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
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

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 MAPK14 13/4885MAPK1 25/4885MAPK3 20/4885

“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.