SCHEMBL5121690

SCHEMBL5121690

Cc1sc2nc(-c3cnccn3)nc(NCc3ccc4c(c3)OCCO4)c2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.41
CLK4 Q9HAZ1 6/20 0.40
CLK1 P49759 3/20 0.40
CLK2 P49760 3/20 0.40
DYRK1A Q13627 3/20 0.40
DYRK1B Q9Y463 2/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA2A P29274 2/20 0.38
PDE5A O76074 4/20 0.38
ALDH1A1 P00352 2/20 0.38
BRAF P15056 1/20 0.37
ADORA1 P30542 1/20 0.36
CLK3 P49761 1/20 0.35
VNN1 O95497 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5814433 0.97 CHRM4 (0.39) CHRM4CLK4CLK1CLK2DYRK1A
SCHEMBL5121202 0.95 MAPT (0.44) CHRM4CLK4CLK1CLK2DYRK1A
SCHEMBL7614393 0.92 ALDH1A1 (0.36) CHRM4CLK4CLK1CLK2DYRK1A
SCHEMBL5114901 0.91 ALDH1A1 (0.47) CHRM4CLK4CLK1CLK2DYRK1A
SCHEMBL7515097 0.90 ALDH1A1 (0.43) CHRM4CLK4CLK1CLK2DYRK1A
SCHEMBL5117152 0.89 HIF1A (0.43) CHRM4CLK4CLK1CLK2DYRK1A
SCHEMBL5128036 0.87 ADORA2A (0.51) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL5123210 0.86 PDE5A (0.39) CHRM4MAPTNPSR1ADORA2APDE5A
SCHEMBL5128699 0.86 MAPT (0.54) CHRM4CLK4DYRK1AMAPTNPSR1
SCHEMBL5120075 0.86 MAPT (0.45) CLK4DYRK1AMAPTNPSR1PDE5A

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 CHRM4 4573/4885CLK4 2791/4885CLK1 2158/4885

“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.