SCHEMBL5121665

SCHEMBL5121665

COc1ccc(CNc2nc(-n3cccn3)nc3sc(C)cc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 7/20 0.45
ACHE P22303 8/20 0.44
BCHE P06276 5/20 0.44
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 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
SCHEMBL5118404 0.92 BCDIN3D (0.44)
SCHEMBL5114314 0.90 MEN1 (0.46) NPC1RAB9AMEN1KMT2AAPP
SCHEMBL5130525 0.89 MEN1 (0.45) NPC1RAB9AMEN1KMT2AAPP
SCHEMBL5130301 0.87 ACHE (0.43) NPC1RAB9AMEN1KMT2AAPP
SCHEMBL5128133 0.86 MEN1 (0.42) NPC1RAB9AMEN1KMT2AAPP
SCHEMBL5125177 0.86 NPC1 (0.49) NPC1RAB9AGALR3NR2F2MEN1
SCHEMBL5127962 0.85 FLT3 (0.40) MEN1KMT2AAPPPOLB
SCHEMBL7618703 0.85 PDE5A (0.42)
SCHEMBL5119057 0.85 USP1 (0.40) GAA
SCHEMBL5130737 0.84 BCHE (0.41) NPC1RAB9AMEN1KMT2AAPP

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 9 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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN 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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 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 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.