SCHEMBL5117009

SCHEMBL5117009

COc1ccc(CNc2nc(-n3ccnc3C)nc3sc(C)cc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
GALR3 O60755 1/20 0.48
NR2F2 P24468 1/20 0.48
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
APP P05067 6/20 0.42
ACHE P22303 7/20 0.42
BCHE P06276 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE5A O76074 1/20 0.40
STAT1 P42224 1/20 0.40
MAPT P10636 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
SCHEMBL5123316 0.92 BCDIN3D (0.42) RAB9ANPC1GALR3NR2F2PDE5A
SCHEMBL5128294 0.91 TNF (0.43) RAB9ANPC1GALR3NR2F2TNF
SCHEMBL5118991 0.90 TNF (0.43) RAB9ANPC1GALR3NR2F2TNF
SCHEMBL5128173 0.88 TNF (0.41) RAB9ANPC1GALR3NR2F2TNF
SCHEMBL5115296 0.87 TNF (0.40) RAB9ATNFNOD1APPACHE
SCHEMBL5116085 0.85 TRPV1 (0.37)
SCHEMBL5128407 0.84 BCDIN3D (0.42) PDE5A
SCHEMBL5116315 0.84 NR3C2 (0.40) APPMEN1KMT2AMAPT
SCHEMBL7609413 0.84 EGFR (0.43) PDE5A
SCHEMBL5114215 0.84 RAB9A (0.42) RAB9ANPC1TNFNOD1APP

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 8 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-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 RAB9A 3220/4885NPC1 4863/4885GALR3 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.