SCHEMBL6078593

SCHEMBL6078593

Cc1cc(C)c2nc(NC(=O)Nc3ccc(F)c(COc4cnccn4)c3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
PTPRE P23469 2/20 0.43
RORC P51449 1/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LCK P06239 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL6079674 0.78 RAB9A (0.49) PTPREMAPTNPC1RAB9AKDM4E
SCHEMBL6078723 0.78 BLM (0.43) PTPREMAPTNPC1RAB9ABLM
SCHEMBL6080568 0.78 KMT2A (0.48) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL6079515 0.77 BLM (0.42) PTPREMAPTNPC1RAB9AKDM4E
SCHEMBL6080735 0.77 BLM (0.55) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL6084065 0.76 CNR1 (0.53) MAPTRAB9AKDM4EBLMKMT2A
SCHEMBL6079773 0.75 MAPT (0.44) PTPREMAPTNPC1RAB9AALDH1A1
SCHEMBL6079119 0.75 ALDH1A1 (0.52) MAPTALDH1A1BLMKMT2ASMN1; SMN2
SCHEMBL6079234 0.75 ABL1 (0.54) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL6079858 0.72 SYK (0.45) RORCKMT2A

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 GAA 4857/4885PTPRE 685/4885RORC 164/4885

“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.