SCHEMBL1176022

SCHEMBL1176022

Cc1cc(C)n(-c2nc(-c3cc(C)c(C)o3)c3c(N)c(C(N)=O)sc3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.53
IKBKB O14920 15/20 0.47
LIMK1 P53667 2/20 0.47
CHUK O15111 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
BTK Q06187 1/20 0.47
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK8 P49336 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3411618 0.86 EEF2K (0.39) EEF2KALDH1A1HPGDMEN1GAA
SCHEMBL1176569 0.84 IKBKB (0.61) EEF2KIKBKBLIMK1CHUKPRKACA
SCHEMBL1176334 0.81 EEF2K (0.60) EEF2KIKBKBLIMK1CHUKPRKACA
SCHEMBL1176484 0.81 EEF2K (0.60) EEF2KIKBKBLIMK1CHUKPRKACA
SCHEMBL12871394 0.79 BRAF (0.58) EEF2KIKBKBLIMK1CHUKPRKACA
SCHEMBL1175961 0.76 EEF2K (0.56) EEF2KIKBKBLIMK1CHUKPRKACA
SCHEMBL1176616 0.72 IKBKB (0.57) EEF2KIKBKBLIMK1CHUKPRKACA
SCHEMBL12885238 0.70 HTT (0.35) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL3409501 0.70 IKBKB (0.44) EEF2KIKBKBLIMK1ALDH1A1HPGD
SCHEMBL3088816 0.68 EEF2K (0.62) EEF2KIKBKBLIMK1CHUKPRKACA

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 3 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

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 EEF2K 1611/4885IKBKB 351/4885LIMK1 1626/4885

“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.