SCHEMBL1175603

SCHEMBL1175603

CSc1nc(-c2cc3ccccc3o2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.64
EEF2K O00418 1/20 0.55
LHCGR P22888 7/20 0.48
TSHR P16473 1/20 0.45
LIMK1 P53667 4/20 0.43
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
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL1176552 0.86 IKBKB (0.70) IKBKBEEF2KLIMK1CHUKPRKACA
SCHEMBL1176187 0.86 IKBKB (0.67) IKBKBEEF2KLIMK1CHUKPRKACA
SCHEMBL1176457 0.84 IKBKB (0.65) IKBKBEEF2KBRAFPDE4APDE4B
SCHEMBL1176006 0.81 IKBKB (0.61) IKBKBEEF2KLHCGRTSHRLIMK1
SCHEMBL1176165 0.81 LIMK1 (0.56) IKBKBLHCGRTSHRLIMK1CHUK
SCHEMBL1176255 0.81 IKBKB (0.60) IKBKBEEF2KLIMK1HTTKDM4E
SCHEMBL6217652 0.80 LIMK1 (0.58) IKBKBLHCGRTSHRLIMK1HTT
SCHEMBL1176329 0.79 IKBKB (0.58) IKBKBEEF2KLIMK1CHUKHTT
SCHEMBL1176475 0.78 IKBKB (0.56) IKBKBEEF2KLIMK1HTTKMT2A
SCHEMBL1176439 0.78 IKBKB (0.56) IKBKBEEF2KLIMK1HTTNPC1

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 351/4885EEF2K 1611/4885LHCGR 2998/4885

“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.