SCHEMBL6079674

SCHEMBL6079674

CC(C)c1nnc(NC(=O)Nc2ccc(F)c(COc3cnccn3)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GLA P06280 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 4/20 0.43
KDM4E B2RXH2 1/20 0.41
PTPRE P23469 1/20 0.41
WRN Q14191 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 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
SCHEMBL6080170 0.87 NPC1 (0.51) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL6078723 0.86 BLM (0.43) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL6079515 0.84 BLM (0.42) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL6080735 0.84 BLM (0.55) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL6205063 0.82 NPC1 (0.46) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL6079773 0.82 MAPT (0.44) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL6079234 0.82 ABL1 (0.54) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL6084065 0.80 CNR1 (0.53) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL6309454 0.79 NPC1 (0.43) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL6204115 0.79 PTPRE (0.41) RAB9AALDH1A1NPC1MEN1KMT2A

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 RAB9A 2580/4885ALDH1A1 3196/4885NPC1 1969/4885

“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.