SCHEMBL6470820

SCHEMBL6470820

NC(=O)c1ncc(Oc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.53
ICAM1 P05362 1/20 0.52
SELE P16581 1/20 0.52
USP2 O75604 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CHEK2 O96017 1/20 0.48
GAA P10253 2/20 0.47
CDK7 P50613 1/20 0.47
CDK6 Q00534 1/20 0.47
MAPT P10636 3/20 0.47
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6470755 0.86 CYP3A4 (0.44) CDK8ICAM1SELEUSP2KMT2A
SCHEMBL6470823 0.81 CDK8 (0.52) CDK8KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL8721009 0.79 MAPT (0.55) ICAM1SELEUSP2KMT2AL3MBTL1
SCHEMBL5042253 0.78 LYN (0.54) CDK8KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL5524087 0.77 L3MBTL1 (0.62) ICAM1SELEUSP2KMT2AL3MBTL1
SCHEMBL27202487 0.77 USP2 (0.82) CDK8ICAM1SELEUSP2KMT2A
SCHEMBL29006543 0.77 ICAM1 (0.52) CDK8ICAM1SELEUSP2KMT2A
SCHEMBL30254925 0.77 ICAM1 (0.52) CDK8ICAM1SELEUSP2KMT2A
SCHEMBL11412080 0.77 CDK8 (0.55) CDK8L3MBTL1ALDH1A1POLBGAA
SCHEMBL9798371 0.76 LTA4H (0.54) L3MBTL1ALDH1A1POLBKDM4EMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA CDK8 4238/4885ICAM1 3871/4885SELE 4340/4885

“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.