SCHEMBL5118413

SCHEMBL5118413

Cc1csc2nc(-c3cnccn3)nc(NCc3ccc4c(c3)OCCO4)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
CHRM4 P08173 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TGFBR1 P36897 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE5A O76074 2/20 0.38
BRAF P15056 1/20 0.38
CLK4 Q9HAZ1 4/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 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
SCHEMBL7516589 0.95 ESR1 (0.42) ESR1CHRM4MAPTNPSR1TGFBR1
SCHEMBL5118059 0.95 MAPT (0.45) ESR1MAPTNPSR1TGFBR1MEN1
SCHEMBL7617167 0.91 TGFBR1 (0.38) ESR1CHRM4MAPTTGFBR1ALDH1A1
SCHEMBL5809952 0.90 MAPT (0.42) ESR1MAPTNPSR1MEN1KMT2A
SCHEMBL5123277 0.88 HIF1A (0.46) ESR1CHRM4MAPTNPSR1TGFBR1
SCHEMBL5121141 0.86 ESR1 (0.44) ESR1CHRM4MAPTNPSR1TGFBR1
SCHEMBL5128338 0.86 BCDIN3D (0.39) MAPTNPSR1TGFBR1MEN1KMT2A
SCHEMBL5114901 0.86 ALDH1A1 (0.47) CHRM4MAPTNPSR1MEN1KMT2A
SCHEMBL5129949 0.86 MAPT (0.56) ESR1MAPTNPSR1MEN1KMT2A
SCHEMBL5122486 0.85 ESR1 (0.48) ESR1TGFBR1CLK4CLK1CLK2

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
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

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 4573/4885MAPT 2997/4885

“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.