SCHEMBL6078486

SCHEMBL6078486

CC(C)(C)OC(=O)Nc1cnc(OCc2c(Cl)cccc2Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
LCK P06239 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CDK9 P50750 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
ATR Q13535 1/20 0.38
CYP2C9 P11712 2/20 0.38
PTGER1 P34995 1/20 0.38
GABRA5 P31644 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
SCHEMBL6238556 0.77 SMN1; SMN2 (0.44) SMN1; SMN2POLBSGMS2CYP2C9CYP1A2
SCHEMBL32681571 0.76 SIRT6 (0.42) LMNAMAPKAPK2ATRGSK3BDYRK1A
SCHEMBL30137565 0.75 NUDT1 (0.44) LCKCDK9MAPKAPK2ATRGSK3B
SCHEMBL2645197 0.75 GSK3B (0.38) MAPK1MAPKAPK2ATRGSK3BDYRK1A
SCHEMBL29008076 0.75 MAPKAPK2 (0.46) LCKCDK9MAPKAPK2ATRCYP2C9
SCHEMBL13033293 0.75 PPARA (0.46) POLBLMNAGAACYP2C9PTGER1
SCHEMBL2644479 0.74 GSK3B (0.38) SMN1; SMN2LMNAMAPKAPK2ATRGSK3B
SCHEMBL29007908 0.73 TMEM97 (0.40) POLBATMMAPKAPK2GSK3BDYRK1A
SCHEMBL6203080 0.73 KDM4E (0.41) SMN1; SMN2POLBCDK9GAASGMS2
SCHEMBL6079114 0.71 SMN1; SMN2 (0.43) SMN1; SMN2GAASGMS2PTGER1KMT2A

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 SMN1; SMN2 3407/4885LCK 415/4885POLB 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.