SCHEMBL607888

SCHEMBL607888

CC1(c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.46
MAPK7 Q13164 6/20 0.46
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10042044 0.84 MAPK14 (0.50) MAPK14MAPK7HTTSMN1; SMN2L3MBTL1
SCHEMBL10042082 0.82 MAPK14 (0.48) MAPK14MAPK7HTTSMN1; SMN2L3MBTL1
SCHEMBL607787 0.82 MAPK14 (0.48) MAPK14MAPK7HTTSMN1; SMN2L3MBTL1
SCHEMBL10042083 0.82 MAPK14 (0.48) MAPK14MAPK7HTTSMN1; SMN2L3MBTL1
SCHEMBL297517 0.81 MAPK14 (0.47) MAPK14MAPK7HTTSMN1; SMN2MEN1
SCHEMBL605064 0.79 MAPK14 (0.46) MAPK14MAPK7HTTSMN1; SMN2L3MBTL1
SCHEMBL606462 0.79 MAPK14 (0.46) MAPK14MAPK7HTTMEN1ALDH1A1
SCHEMBL298823 0.79 MAPK14 (0.46) MAPK14MAPK7HTTALDH1A1CYP1A2
SCHEMBL606459 0.79 MAPK14 (0.52) MAPK14MAPK7HTTSMN1; SMN2L3MBTL1
SCHEMBL615900 0.78 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
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
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 4/4885HTT 3782/4885

“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.