SCHEMBL1176780

SCHEMBL1176780

Cc1cccc(-c2nc(N3CCOCC3)nc3sc(C(N)=O)c(N)c23)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.56
KDM4E B2RXH2 4/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LIMK1 P53667 3/20 0.42
CHUK O15111 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
BTK Q06187 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL3408742 0.86 IKBKB (0.40) IKBKBKDM4EHPGDALDH1A1GAA
SCHEMBL1176228 0.82 IKBKB (0.57) IKBKBKDM4EHPGDALDH1A1GAA
SCHEMBL1176204 0.80 BRAF (0.55) IKBKBHPGDLIMK1CHUKPRKACA
SCHEMBL1176429 0.78 IKBKB (0.52) IKBKBKDM4EHPGDALDH1A1GAA
SCHEMBL1176439 0.77 IKBKB (0.56) IKBKBKDM4EHPGDALDH1A1GAA
SCHEMBL2132343 0.77 IKBKB (0.50) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL1176502 0.77 IKBKB (0.47) IKBKBHPGDLIMK1CHUKPRKACA
SCHEMBL1176726 0.77 IKBKB (0.49) IKBKBHPGDLIMK1CHUKPRKACA
SCHEMBL2130627 0.77 IKBKB (0.49) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL12871395 0.76 IKBKB (0.50) IKBKBHPGDLIMK1CHUKPRKACA

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 351/4885KDM4E 2266/4885HPGD 872/4885

“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.