SCHEMBL5124236

SCHEMBL5124236

COc1ccc(CNc2nc(-c3cnccn3)nc3sc(Cl)cc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
STAT1 P42224 1/20 0.43
APP P05067 5/20 0.43
PDE5A O76074 1/20 0.42
ACHE P22303 6/20 0.41
BCHE P06276 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39

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
SCHEMBL5128040 0.94 PDE5A (0.43) PDE5ALIMK1LIMK2
SCHEMBL7508291 0.90 BCDIN3D (0.42) PDE5A
SCHEMBL5122834 0.90 NPC1 (0.48) MEN1KMT2ATNFNOD1STAT1
SCHEMBL5127494 0.89 MEN1 (0.46) MEN1KMT2ATNFNOD1STAT1
SCHEMBL5129885 0.88 MEN1 (0.51) MEN1KMT2ATNFNOD1STAT1
SCHEMBL5123250 0.86 MEN1 (0.43) MEN1KMT2ATNFNOD1STAT1
SCHEMBL5124385 0.85 ADORA2A (0.48) DYRK1ACLK4ADORA2AADORA1LIMK1
SCHEMBL5117610 0.85 PDE5A (0.42) PDE5ANPC1RAB9ALIMK1LIMK2
SCHEMBL5119735 0.85 MEN1 (0.55) MEN1KMT2APDE5ACLK4
SCHEMBL5129346 0.85 MEN1 (0.42) MEN1KMT2ATNFNOD1APP

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 MEN1 696/4885KMT2A 388/4885TNF 2769/4885

“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.