SCHEMBL607759

SCHEMBL607759

O=C(NCc1nnc(-c2cc(C(F)(F)F)n[nH]2)s1)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.42
MAPK7 Q13164 6/20 0.42
HTT P42858 4/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13075042 0.94 MAPK14 (0.41) MAPK14MAPK7HTTMEN1KMT2A
SCHEMBL299039 0.88 MAPK14 (0.43) MAPK14MAPK7HTTMEN1KMT2A
SCHEMBL606306 0.86 MAPK14 (0.42) MAPK14MAPK7HTTSMN1; SMN2
SCHEMBL297906 0.84 MAPK14 (0.41) MAPK14MAPK7HTTSMN1; SMN2LMNA
SCHEMBL607176 0.83 MAPK14 (0.48) MAPK14MAPK7HTTSMN1; SMN2
SCHEMBL605284 0.82 MAPK14 (0.49) MAPK14MAPK7HTTSMN1; SMN2
SCHEMBL606459 0.81 MAPK14 (0.52) MAPK14MAPK7HTTSMN1; SMN2
SCHEMBL615900 0.80 MAPK14 (0.56) MAPK14MAPK7HTTPOLB
SCHEMBL299044 0.80 MAPK14 (0.53) MAPK14MAPK7HTTSMN1; SMN2LMNA
SCHEMBL607897 0.80 MAPK14 (0.49) MAPK14MAPK7HTTMEN1KMT2A

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-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

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.