SCHEMBL1176006

SCHEMBL1176006

CSc1nc(-c2ccco2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.61
LIMK1 P53667 1/20 0.56
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
PTK2B Q14289 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
RECQL P46063 2/20 0.53
MCL1 Q07820 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
EEF2K O00418 7/20 0.53
LHCGR P22888 6/20 0.51

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 0.85 IKBKB (0.68) IKBKBLIMK1MAPTHTTHSD17B10
SCHEMBL1175798 0.85 IKBKB (0.64) IKBKBLIMK1MAPTHTTHSD17B10
SCHEMBL3406906 0.84 MAPT (0.45) IKBKBLIMK1MAPTHTTHSD17B10
SCHEMBL1176286 0.83 IKBKB (0.62) IKBKBLIMK1MAPTHTTHSD17B10
SCHEMBL1176582 0.82 IKBKB (0.61) IKBKBLIMK1MAPTHTTHSD17B10
SCHEMBL1176165 0.82 LIMK1 (0.56) IKBKBLIMK1MAPTALDH1A1HPGD
SCHEMBL6217652 0.81 LIMK1 (0.58) IKBKBLIMK1MAPTHTTKDM4E
SCHEMBL1176427 0.81 IKBKB (0.60) IKBKBLIMK1MAPTHTTHSD17B10
SCHEMBL1175603 0.81 IKBKB (0.64) IKBKBLIMK1MAPTHTTKDM4E
SCHEMBL2132343 0.81 IKBKB (0.50) IKBKBLIMK1HTTNPC1RAB9A

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 351/4885LIMK1 1626/4885MAPT 3766/4885

“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.