SCHEMBL300357

SCHEMBL300357

COc1ccc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.42
MAPK7 Q13164 4/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
MEN1 O00255 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
SCHEMBL298400 0.89 MAPK14 (0.44) MAPK14MAPK7ALDH1A1HPGDHTT
SCHEMBL607173 0.88 ALDH1A1 (0.49) MAPK14MAPK7ALDH1A1HPGDHTT
SCHEMBL606459 0.86 MAPK14 (0.52) MAPK14MAPK7HPGDHTTSMN1; SMN2
SCHEMBL605344 0.84 MAPK14 (0.52) MAPK14MAPK7HTTSMN1; SMN2KMT2A
SCHEMBL298362 0.84 MAPK14 (0.47) MAPK14MAPK7ALDH1A1HPGDHTT
SCHEMBL299044 0.83 MAPK14 (0.53) MAPK14MAPK7ALDH1A1HPGDHTT
SCHEMBL607095 0.83 HTT (0.54) MAPK14MAPK7ALDH1A1HPGDHTT
SCHEMBL298943 0.83 MAPK14 (0.46) MAPK14MAPK7HPGDHTTSMN1; SMN2
SCHEMBL297868 0.80 MAPK14 (0.46) MAPK14MAPK7HTTSMN1; SMN2
SCHEMBL615900 0.80 MAPK14 (0.56) MAPK14MAPK7HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
EP-2427452-A1 P38 KINASE INHIBITING AGENTS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
WO-2010129208-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-11-11 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-20120040999-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 MAPK14 13/4885MAPK7 4/4885ALDH1A1 1373/4885

“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.