SCHEMBL299044

SCHEMBL299044

O=C(NCc1nnc(-c2ccccc2)s1)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.53
MAPK7 Q13164 7/20 0.53
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL606459 0.93 MAPK14 (0.52) MAPK14MAPK7HTTSMN1; SMN2CYP1A2
SCHEMBL605344 0.93 MAPK14 (0.52) MAPK14MAPK7HTTSMN1; SMN2
SCHEMBL607095 0.90 HTT (0.54) MAPK14MAPK7HTTSMN1; SMN2CYP1A2
SCHEMBL615900 0.89 MAPK14 (0.56) MAPK14MAPK7HTT
SCHEMBL607173 0.88 ALDH1A1 (0.49) MAPK14MAPK7HTTSMN1; SMN2CYP2C9
SCHEMBL298943 0.88 MAPK14 (0.46) MAPK14MAPK7HTTSMN1; SMN2CYP1A2
SCHEMBL298940 0.87 MAPK14 (0.50) MAPK14MAPK7HTTSMN1; SMN2CYP1A2
SCHEMBL297868 0.87 MAPK14 (0.46) MAPK14MAPK7HTTSMN1; SMN2
SCHEMBL605284 0.87 MAPK14 (0.49) MAPK14MAPK7HTTSMN1; SMN2CYP1A2
SCHEMBL297921 0.85 HTT (0.54) MAPK14MAPK7HTTSMN1; SMN2CYP1A2

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 4/4885HTT 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.