SCHEMBL1176726

SCHEMBL1176726

Cc1cccc(-c2nc(C(C)(C)C)nc3sc(C(N)=O)c(N)c23)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.49
LIMK1 P53667 4/20 0.48
CHUK O15111 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
BTK Q06187 1/20 0.48
BRAF P15056 1/20 0.43
CDK8 P49336 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1176204 0.86 BRAF (0.55) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL3411093 0.84 IKBKB (0.34) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL2132343 0.83 IKBKB (0.50) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL2130627 0.82 IKBKB (0.49) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL12871395 0.81 IKBKB (0.50) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL2134327 0.81 IKBKB (0.47) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL1176502 0.81 IKBKB (0.47) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL2133506 0.80 IKBKB (0.54) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL1176582 0.80 IKBKB (0.61) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL1176328 0.80 IKBKB (0.62) IKBKBLIMK1CHUKPRKACAPRKACG

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 2 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

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 351/4885LIMK1 1626/4885CHUK 242/4885

“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.