SCHEMBL6079940

SCHEMBL6079940

O=C(Nc1ccc(F)c(COc2cnccn2)c1)Nc1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPK14 Q16539 1/20 0.44
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
TNIK Q9UKE5 1/20 0.39
POLB P06746 1/20 0.39
KDR P35968 3/20 0.39
NPY5R Q15761 2/20 0.39
RET P07949 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
SCHEMBL6257221 0.91 ROCK2 (0.45) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL6079580 0.84 KCNH2 (0.38) ROCK1KMT2AMEN1MAPK14POLB
SCHEMBL6257230 0.82 MEN1 (0.43) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL6080735 0.80 BLM (0.55) KMT2AMEN1ALDH1A1GAANPC1
SCHEMBL6206171 0.79 ELOVL1 (0.48) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6079119 0.78 ALDH1A1 (0.52) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL6079633 0.77 KCNJ6 (0.64) LMNA
SCHEMBL6204003 0.74 HIF1A (0.41) KMT2AMEN1ALDH1A1NPSR1NPC1
SCHEMBL6079234 0.74 ABL1 (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6080035 0.73 PTPN1 (0.59) MAPK14MAPTPOLB

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 ROCK2 2436/4885ROCK1 2895/4885KMT2A 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.