SCHEMBL5127705

SCHEMBL5127705

COc1ccc(CNc2nc(-n3cncn3)nc3sc(C)c(C)c23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
GAA P10253 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
APP P05067 2/20 0.40
CHRM4 P08173 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 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
SCHEMBL5123509 0.92 BCDIN3D (0.43) GAAADORA2AADORA1RXFP1ALDH1A1
SCHEMBL5119295 0.91 TSHR (0.43) TNFNOD1BCHEACHEGAA
SCHEMBL5130737 0.85 BCHE (0.41) TNFNOD1BCHEACHEGAA
SCHEMBL5124390 0.85 TNF (0.44) TNFNOD1BCHEACHEGAA
SCHEMBL5115157 0.85 ADORA2A (0.42) GAAADORA2AADORA1RXFP1ALDH1A1
SCHEMBL5125177 0.85 NPC1 (0.49) TNFNOD1BCHEACHEAPP
SCHEMBL5122317 0.85 BCDIN3D (0.43) CHRM4
SCHEMBL5119028 0.84 NOS2 (0.48) TNFNOD1BCHEACHEGAA
SCHEMBL5777730 0.84 MAPT (0.47) GAAALDH1A1KDM4ELMNAMEN1
SCHEMBL5118514 0.84 GAA (0.46) GAAADORA2AADORA1RXFP1ALDH1A1

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 7 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-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP 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 TNF 2769/4885NOD1 1451/4885BCHE 3646/4885

“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.