SCHEMBL6078996

SCHEMBL6078996

O=C(Nc1ccc(F)c(COc2cnccn2)c1)Nc1nnc(C2CCCO2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.44
▸ POLB P06746 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 4/20 0.39
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ WRN Q14191 2/20 0.38
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL6079773 0.82 MAPT (0.44) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL6080735 0.79 BLM (0.55) ALDH1A1POLBMAPTSMN1; SMN2NPC1
SCHEMBL6079674 0.79 RAB9A (0.49) ALDH1A1USP2MAPTGLASMN1; SMN2
SCHEMBL6078723 0.79 BLM (0.43) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6204115 0.78 PTPRE (0.41) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL6080417 0.78 KCNJ6 (0.44) —
SCHEMBL6079515 0.77 BLM (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6079234 0.77 ABL1 (0.54) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL6270885 0.75 MAPT (0.41) POLBMAPTBLMPTPRE
SCHEMBL6084065 0.73 CNR1 (0.53) POLBMAPTSMN1; SMN2RAB9ALMNA

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 BRAF 259/4885ALDH1A1 3196/4885POLB 4005/4885

“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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