SCHEMBL5125583

SCHEMBL5125583

Cc1csc2nc(-c3ccno3)nc(NCc3ccc4c(c3)OCCO4)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
CHRM4 P08173 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PDE2A O00408 1/20 0.37
PDE5A O76074 2/20 0.37
CLK4 Q9HAZ1 3/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5116156 0.94 ALDH1A1 (0.43) ESR1MEN1KMT2AALDH1A1MAPT
SCHEMBL7618896 0.91 LMNA (0.38) ESR1CHRM4ALDH1A1MAPTHTT
SCHEMBL5121141 0.86 ESR1 (0.44) ESR1CHRM4MEN1KMT2AALDH1A1
SCHEMBL5129214 0.86 ESR1 (0.49) ESR1ALDH1A1CLK4TGFBR1USP1
SCHEMBL5118575 0.85 FAAH (0.39) ESR1MEN1KMT2AALDH1A1MAPT
SCHEMBL5128684 0.85 ALDH1A1 (0.48) CHRM4MEN1KMT2AALDH1A1MAPT
SCHEMBL5117945 0.84 ESR1 (0.51) ESR1CHRM4MEN1KMT2AALDH1A1
SCHEMBL5124136 0.84 CHRM4 (0.42) CHRM4MEN1KMT2AALDH1A1MAPT
SCHEMBL5123277 0.83 HIF1A (0.46) ESR1CHRM4MEN1KMT2AALDH1A1
SCHEMBL5118080 0.82 ESR1 (0.48) ESR1CHRM4MEN1KMT2AALDH1A1

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 ESR1 2256/4885CHRM4 4573/4885MEN1 696/4885

“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.