SCHEMBL1176409

SCHEMBL1176409

CCS(=O)(=O)N1CCN(c2nc(-c3ccc(C)o3)c3c(N)c(C(N)=O)sc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
LIMK1 P53667 1/20 0.47
IKBKB O14920 16/20 0.41
EEF2K O00418 2/20 0.40
CHUK O15111 3/20 0.39
EPHA3 P29320 3/20 0.39
PDGFRA P16234 1/20 0.39
GAK O14976 1/20 0.38
ICAM1 P05362 1/20 0.38
DRD2 P14416 1/20 0.38
NFKBIA P25963 1/20 0.38
DRD3 P35462 1/20 0.38
ABAT P80404 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
IRAK3 Q9Y616 1/20 0.38

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
SCHEMBL3409644 0.88 MEN1 (0.36) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1176228 0.86 IKBKB (0.57) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL3088342 0.80 ALDH1A1 (0.51) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1176342 0.77 LIMK1 (0.60) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1175976 0.77 LIMK1 (0.55) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1176201 0.76 LIMK1 (0.50) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL3410251 0.75 IKBKB (0.41) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1176017 0.74 LIMK1 (0.60) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1176092 0.74 HPGD (0.56) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1176597 0.74 LIMK1 (0.59) MEN1ALDH1A1GAAMAPTHPGD

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 6 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
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 MEN1 2849/4885ALDH1A1 690/4885GAA 3616/4885

“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.