SCHEMBL5122834

SCHEMBL5122834

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GALR3 O60755 1/20 0.48
NR2F2 P24468 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
APP P05067 5/20 0.42
ACHE P22303 6/20 0.42
BCHE P06276 4/20 0.42
POLB P06746 1/20 0.41
PDE5A O76074 1/20 0.40
STAT1 P42224 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL5117610 0.92 PDE5A (0.42) NPC1RAB9AGALR3NR2F2PDE5A
SCHEMBL5127494 0.90 MEN1 (0.46) NPC1RAB9AMEN1KMT2ATNF
SCHEMBL5124236 0.90 MEN1 (0.46) NPC1RAB9AMEN1KMT2ATNF
SCHEMBL7522772 0.89 BCDIN3D (0.42) NPC1RAB9AGALR3NR2F2PDE5A
SCHEMBL5130006 0.88 MEN1 (0.52) NPC1RAB9AGALR3NR2F2MEN1
SCHEMBL5123250 0.87 MEN1 (0.43) NPC1RAB9AMEN1KMT2ATNF
SCHEMBL5129346 0.86 MEN1 (0.42) NPC1RAB9AMEN1KMT2ATNF
SCHEMBL5124775 0.85 KDM4E (0.45) NPC1MEN1KMT2APOLBPDE5A
SCHEMBL5128008 0.85 KMT2A (0.56) NPC1RAB9AGALR3NR2F2MEN1
SCHEMBL5128521 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2B

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
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO 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 NPC1 4863/4885RAB9A 3220/4885GALR3 3917/4885

“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.