SCHEMBL6079119

SCHEMBL6079119

O=C(Nc1ccc(F)c(COc2cnccn2)c1)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ ADORA3 P0DMS8 2/20 0.52
▸ ROCK1 Q13464 5/20 0.52
▸ ROCK2 O75116 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ELOVL1 Q9BW60 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ BAZ1A Q9NRL2 1/20 0.47
▸ PRKACA P17612 1/20 0.47

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
SCHEMBL6080735 0.84 BLM (0.55) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6080568 0.83 KMT2A (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6079633 0.80 KCNJ6 (0.64) LMNA
SCHEMBL6080365 0.79 NPC1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6079234 0.79 ABL1 (0.54) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6079940 0.78 ROCK2 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6079580 0.78 KCNH2 (0.38) MEN1KMT2ALMNAROCK1HTT
SCHEMBL6084065 0.77 CNR1 (0.53) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6080035 0.76 PTPN1 (0.59) MAPTSMN1; SMN2
SCHEMBL6079674 0.76 RAB9A (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2006-03-23 — — US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 — — EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 — — WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 — — 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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors MAPK1, MAPK3, MAPK10 ALDH1A1 3196/4885MEN1 4610/4885KMT2A 2277/4885

“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.

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