SCHEMBL607684

SCHEMBL607684

O=C(NCc1nnc(-c2ccn[nH]2)s1)c1cc(Cc2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
MAPK14 Q16539 8/20 0.36
MAPK7 Q13164 5/20 0.36
HTT P42858 2/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.32
MAPK10 P53779 1/20 0.32
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL605349 0.85 MAPK14 (0.35) HDAC6MAPK14MAPK7HTTROCK2
SCHEMBL607176 0.85 MAPK14 (0.48) MAPK14MAPK7HTT
SCHEMBL299928 0.83 MAPK14 (0.40) HDAC6MAPK14MAPK7HTTLMNA
SCHEMBL299876 0.81 HDAC6 (0.38) HDAC6MAPK14MAPK7HTTROCK2
SCHEMBL298880 0.79 MAPK14 (0.58) MAPK14MAPK7HTT
SCHEMBL299397 0.78 MAPK14 (0.47) MAPK14MAPK7HTTLMNAALDH1A1
SCHEMBL27973128 0.71 HDAC6 (0.36) HDAC6NOTUM
SCHEMBL606459 0.71 MAPK14 (0.52) MAPK14MAPK7HTT
SCHEMBL605284 0.71 MAPK14 (0.49) MAPK14MAPK7HTT
SCHEMBL299044 0.70 MAPK14 (0.53) HDAC6MAPK14MAPK7HTTLMNA

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-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

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 HDAC6 672/4885MAPK14 13/4885MAPK7 4/4885

“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.