SCHEMBL5115035

SCHEMBL5115035

COc1ccc(CNc2nc(-c3ccncc3)nc3scc(C)c23)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
PDE5A O76074 9/20 0.45
BCDIN3D Q7Z5W3 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKCI P41743 4/20 0.41
TGFBR1 P36897 1/20 0.40

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
SCHEMBL5814645 0.96 ESR1 (0.46) ESR1PDE5ABCDIN3DMEN1KMT2A
SCHEMBL5119865 0.91 MEN1 (0.52) ESR1MEN1KMT2APRKCITGFBR1
SCHEMBL5122543 0.90 ALDH1A1 (0.52) ESR1PDE5AMEN1KMT2A
SCHEMBL7522368 0.90 ALDH1A1 (0.47) ESR1MEN1KMT2APRKCITGFBR1
SCHEMBL5120732 0.89 ESR1 (0.53) ESR1PRKCITGFBR1
SCHEMBL8169472 0.88 ESR1 (0.47) ESR1PDE5ABCDIN3DMEN1KMT2A
SCHEMBL8171015 0.88 ESR1 (0.47) ESR1PDE5ABCDIN3DMEN1KMT2A
SCHEMBL7516802 0.87 ALDH1A1 (0.56) ESR1PDE5AMEN1KMT2A
SCHEMBL5122177 0.86 ESR1 (0.45) ESR1PDE5ABCDIN3D
SCHEMBL5127759 0.86 ESR1 (0.65) ESR1PDE5ABCDIN3D

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 4 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
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 2256/4885PDE5A 2002/4885BCDIN3D 1161/4885

“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.