SCHEMBL1176255

SCHEMBL1176255

NC(=O)c1sc2nc(C3CC3)nc(-c3cc4ccccc4o3)c2c1N

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.60
EEF2K O00418 2/20 0.57
BRAF P15056 11/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
LIMK1 P53667 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL1176187 0.85 IKBKB (0.67) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1176552 0.83 IKBKB (0.70) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1175961 0.82 EEF2K (0.56) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1176457 0.82 IKBKB (0.65) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1176327 0.81 IKBKB (0.57) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1175603 0.81 IKBKB (0.64) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1176092 0.81 HPGD (0.56) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1176439 0.79 IKBKB (0.56) IKBKBEEF2KCDK8CDK19LIMK1
SCHEMBL1176329 0.78 IKBKB (0.58) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1176475 0.77 IKBKB (0.56) IKBKBEEF2KBRAFPDE4APDE4B

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-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US claimed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 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-20110028472-A1 THIENOPYRIMIDINES TGFBR1, TYMP, TGFBR2 IKBKB 351/4885EEF2K 1611/4885BRAF 183/4885

“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.