SCHEMBL5129891

SCHEMBL5129891

COc1ccc(CNc2nc(-n3cccn3)nc3scc(C)c23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 3/20 0.41
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL5122305 0.92 ESR1 (0.45) ESR1
SCHEMBL5130737 0.85 BCHE (0.41) TNFNOD1MEN1KMT2AAPP
SCHEMBL5124390 0.85 TNF (0.44) ESR1TNFNOD1MEN1KMT2A
SCHEMBL5125399 0.85 ESR1 (0.48) ESR1GAA
SCHEMBL5123189 0.84 ESR1 (0.49) ESR1MAPK1
SCHEMBL5115335 0.84 ESR1 (0.48) ESR1MEN1KMT2ARAB9AGAA
SCHEMBL5130844 0.84 NOS2 (0.48) ESR1TNFNOD1MEN1KMT2A
SCHEMBL5124278 0.84 TSHR (0.43) TNFNOD1MEN1KMT2AAPP
SCHEMBL5120227 0.83 TNF (0.44) ESR1TNFNOD1MEN1KMT2A
SCHEMBL5121665 0.82 NPC1 (0.46) TNFNOD1MEN1KMT2AAPP

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 ESR1 2256/4885TNF 2769/4885NOD1 1451/4885

“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.