SCHEMBL5129883

SCHEMBL5129883

COc1ccc(CNc2nc(-c3ccccn3)nc3scc(C)c23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 4/20 0.46
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
APP P05067 2/20 0.43
ESR1 P03372 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
FFAR1 O14842 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL5129540 0.92 PDE5A (0.46) KDM4EMAPK1HIF1AESR1
SCHEMBL7512225 0.89 NPC1 (0.44) KDM4EMAPK1HIF1ANPC1RAB9A
SCHEMBL5124327 0.88 TNF (0.44) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL5130956 0.85 POLB (0.48) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL5122136 0.85 NPC1 (0.57) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL5129136 0.85 ESR1 (0.49) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL5119865 0.84 MEN1 (0.52) KDM4EPOLBMEN1KMT2AABCB1
SCHEMBL5118328 0.84 ESR1 (0.50) MEN1KMT2AHIF1ANPC1ESR1
SCHEMBL5128885 0.83 POLB (0.47) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL5118580 0.82 ALDH1A1 (0.55) KDM4EMAPK1POLBMEN1KMT2A

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 6 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-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 KDM4E 257/4885MAPK1 899/4885POLB 1280/4885

“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.