SCHEMBL5116928

SCHEMBL5116928

COc1ccc(CNc2nc(-c3ccno3)nc3sc(C)c(Cl)c23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
STAT1 P42224 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 2/20 0.37
PDE5A O76074 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 2/20 0.37
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL5812974 0.97 CHRM4 (0.40) CHRM4TSHRMEN1KMT2ATNF
SCHEMBL5128434 0.94 BCDIN3D (0.42) CHRM4PDE5ABCDIN3D
SCHEMBL5127812 0.91 MEN1 (0.42) CHRM4TSHRMEN1KMT2ATNF
SCHEMBL7514448 0.91 BCDIN3D (0.40) CHRM4PDE5ABCDIN3D
SCHEMBL7513169 0.90 CHRM4 (0.40) CHRM4TSHRMEN1KMT2ATNF
SCHEMBL5128249 0.87 USP1 (0.36) CHRM4KMT2ALMNAGAADYRK1A
SCHEMBL5120646 0.86 BCDIN3D (0.42) CHRM4LMNAPDE5AGAABCDIN3D
SCHEMBL5126310 0.86 CHRM4 (0.41) CHRM4MEN1KMT2ALMNAMAPT
SCHEMBL5121979 0.84 MEN1 (0.49) CHRM4TSHRMEN1KMT2ATNF
SCHEMBL5126030 0.84 PRKCI (0.38) CHRM4TSHRMEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 CHRM4 4573/4885TSHR 1050/4885MEN1 696/4885

“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.