SCHEMBL1176286

SCHEMBL1176286

CNc1nc(-c2ccco2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.62
BRAF P15056 6/20 0.59
PDE4A P27815 6/20 0.59
PDE4B Q07343 6/20 0.59
PDE4C Q08493 6/20 0.59
PDE4D Q08499 6/20 0.59
LIMK1 P53667 1/20 0.57
MAPT P10636 4/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
PTK2B Q14289 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL1176458 0.86 IKBKB (0.68) IKBKBLIMK1MAPTHSD17B10USP2
SCHEMBL1175798 0.86 IKBKB (0.64) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL3408796 0.84 IKBKB (0.43) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176006 0.83 IKBKB (0.61) IKBKBLIMK1MAPTHSD17B10USP2
SCHEMBL1176582 0.83 IKBKB (0.61) IKBKBLIMK1MAPTHSD17B10USP2
SCHEMBL1176427 0.82 IKBKB (0.60) IKBKBLIMK1MAPTHSD17B10USP2
SCHEMBL1176017 0.82 LIMK1 (0.60) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL4924409 0.81 BRAF (0.70) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176457 0.81 IKBKB (0.65) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL1176327 0.80 IKBKB (0.57) 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.