SCHEMBL5115451

SCHEMBL5115451

COc1ccc(CNc2nc(-c3ccno3)nc3sc(Cl)cc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 7/20 0.43
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
ACHE P22303 8/20 0.42
BCHE P06276 5/20 0.42
STAT1 P42224 1/20 0.42
PDE5A O76074 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 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
SCHEMBL5121947 0.94 PDE5A (0.43) MEN1KMT2APDE5A
SCHEMBL5122125 0.90 NPC1 (0.47) MEN1KMT2AAPPTNFNOD1
SCHEMBL5122880 0.89 MEN1 (0.46) MEN1KMT2AAPPTNFNOD1
SCHEMBL5816457 0.88 NPC1 (0.43) MEN1KMT2AAPPTNFNOD1
SCHEMBL5122390 0.87 MEN1 (0.45) MEN1KMT2AAPPTNFNOD1
SCHEMBL5129091 0.85 USP1 (0.44) GAA
SCHEMBL5122355 0.85 PDE5A (0.43) MEN1KMT2APDE5ANPC1RAB9A
SCHEMBL5124402 0.85 MEN1 (0.40) MEN1KMT2AAPPPDE5ALMNA
SCHEMBL5118536 0.85 MEN1 (0.43) MEN1KMT2AAPPTNFNOD1
SCHEMBL5124230 0.84 PDE5A (0.42) MEN1KMT2APDE5A

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-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
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO 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 MEN1 696/4885KMT2A 388/4885APP 4123/4885

“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.