SCHEMBL1176339

SCHEMBL1176339

Cc1cccc(-c2nc(-c3cccnc3)nc3sc(C(N)=O)c(N)c23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
LIMK1 P53667 7/20 0.53
ALDH1A1 P00352 2/20 0.50
EEF2K O00418 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP2A6 P11509 1/20 0.48
IKBKB O14920 7/20 0.47
CHRM4 P08173 2/20 0.43
CHUK O15111 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL1176328 0.83 IKBKB (0.62) LIMK1ALDH1A1IKBKBCHRM4CHUK
SCHEMBL1176204 0.81 BRAF (0.55) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL2132343 0.78 IKBKB (0.50) LIMK1IKBKBCHUKPRKACAPRKACG
SCHEMBL1176726 0.77 IKBKB (0.49) BRAFLIMK1IKBKBCHUKPRKACA
SCHEMBL2130627 0.77 IKBKB (0.49) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4186923 0.77 IKBKB (0.78) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL12871395 0.76 IKBKB (0.50) LIMK1IKBKBCHUKPRKACAPRKACG
SCHEMBL1176475 0.76 IKBKB (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL1176502 0.76 IKBKB (0.47) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL2134327 0.76 IKBKB (0.47) LIMK1EEF2KIKBKBCHUKPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015724-A Thienopyrimidines MERCK PATENT GMBH 2011-04-13 CN claimed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US claimed
CN-102015724-A Thienopyrimidines MERCK PATENT GMBH 2011-04-13 CN 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 BRAF 183/4885PDE4A 1720/4885PDE4B 2219/4885

“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.