SCHEMBL5128296

SCHEMBL5128296

COc1ccc(CNc2nc(Cl)nc3sc(C)cc23)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GALR3 O60755 1/20 0.53
NR2F2 P24468 1/20 0.53
APP P05067 7/20 0.50
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
ACHE P22303 7/20 0.48
BCHE P06276 4/20 0.48
STAT1 P42224 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47
PDE5A O76074 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL5123467 0.92 PDE5A (0.50) NPC1RAB9AGALR3NR2F2PDE5A
SCHEMBL5128515 0.90 APP (0.51) NPC1RAB9AAPPTNFNOD1
SCHEMBL5441336 0.88 NPC1 (0.55) NPC1RAB9AGALR3NR2F2APP
SCHEMBL5123734 0.87 APP (0.48) NPC1RAB9AAPPTNFNOD1
SCHEMBL5120111 0.85 ACHE (0.47) NPC1RAB9AAPPTNFNOD1
SCHEMBL5123979 0.83 ESR1 (0.43) APPPDE5A
SCHEMBL5122665 0.83 PDE5A (0.46) APPTNFNOD1ACHEBCHE
SCHEMBL27403244 0.83 TNF (0.68) NPC1RAB9AGALR3NR2F2APP
SCHEMBL5120390 0.82 MEN1 (0.57) NPC1RAB9AGALR3NR2F2APP
SCHEMBL5114944 0.82 PDE5A (0.51) PDE5A

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 10 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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
CN-1081638-C Thienopyrimidine compounds MERCK PATENT GMBH (DE) 2002-03-27 CN 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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
CN-1227560-A Thienopyrimidines MERCK PATENT GMBH (DE) 1999-09-01 CN 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.