Sugi Predict

Sugi Predict / Compounds / SCHEMBL297921

SCHEMBL297921

SCHEMBL297921

O=C(NCc1nnc(-c2ccco2)s1)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.54
▸ MAPK14 Q16539 11/20 0.48
▸ MAPK7 Q13164 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL299044 0.85 MAPK14 (0.53) HTTMAPK14MAPK7ALDH1A1CYP2C9
SCHEMBL615900 0.85 MAPK14 (0.56) HTTMAPK14MAPK7
SCHEMBL606459 0.84 MAPK14 (0.52) HTTMAPK14MAPK7CYP2C9HPGD
SCHEMBL605284 0.84 MAPK14 (0.49) HTTMAPK14MAPK7CYP2C9HPGD
SCHEMBL605344 0.84 MAPK14 (0.52) HTTMAPK14MAPK7MEN1KMT2A
SCHEMBL298940 0.82 MAPK14 (0.50) HTTMAPK14MAPK7ALDH1A1CYP2C9
SCHEMBL607897 0.81 MAPK14 (0.49) HTTMAPK14MAPK7ALDH1A1MEN1
SCHEMBL607095 0.81 HTT (0.54) HTTMAPK14MAPK7ALDH1A1CYP2C9
SCHEMBL605300 0.81 MAPK14 (0.47) HTTMAPK14MAPK7ALDH1A1CYP2C9
SCHEMBL10042101 0.81 MAPK14 (0.46) HTTMAPK14MAPK7CYP2C9KMT2A

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 HTT 3782/4885MAPK14 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.