SCHEMBL1176457

SCHEMBL1176457

CNc1nc(-c2cc3ccccc3o2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.65
BRAF P15056 16/20 0.58
PDE4A P27815 12/20 0.58
PDE4B Q07343 12/20 0.58
PDE4C Q08493 12/20 0.58
PDE4D Q08499 12/20 0.58
EEF2K O00418 1/20 0.56

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
SCHEMBL1176552 0.87 IKBKB (0.70) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176187 0.87 IKBKB (0.67) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL3406686 0.85 IKBKB (0.47) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176215 0.85 IKBKB (0.54) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1175603 0.84 IKBKB (0.64) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL12871394 0.82 BRAF (0.58) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176255 0.82 IKBKB (0.60) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176017 0.81 LIMK1 (0.60) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176286 0.81 IKBKB (0.62) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176329 0.80 IKBKB (0.58) IKBKBBRAFPDE4APDE4BPDE4C

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 351/4885BRAF 183/4885PDE4A 1720/4885

“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.