SCHEMBL5128249

SCHEMBL5128249

Cc1sc2nc(-c3ccno3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
CLK4 Q9HAZ1 7/20 0.34
GAA P10253 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRM4 P08173 2/20 0.34
PRKCI P41743 3/20 0.33
DYRK1A Q13627 4/20 0.33
CLK1 P49759 2/20 0.33
CLK2 P49760 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL7516123 0.96 USP1 (0.34) USP1WDR48CLK4GAARXFP1
SCHEMBL5130870 0.92 GAA (0.42) USP1WDR48CLK4GAARXFP1
SCHEMBL5128434 0.90 BCDIN3D (0.42) CHRM4
SCHEMBL5126310 0.89 CHRM4 (0.41) GAARXFP1CHRM4PRKCIKDM4E
SCHEMBL5809508 0.89 GAA (0.40) USP1WDR48CLK4GAARXFP1
SCHEMBL5124136 0.88 CHRM4 (0.42) CLK4CHRM4DYRK1ACLK1CLK2
SCHEMBL5126030 0.87 PRKCI (0.38) CLK4GAARXFP1CHRM4PRKCI
SCHEMBL5116928 0.87 CHRM4 (0.42) CLK4GAACHRM4DYRK1ALMNA
SCHEMBL7514448 0.87 BCDIN3D (0.40) CHRM4
SCHEMBL5125502 0.86 CHRM4 (0.42) USP1WDR48CLK4CHRM4DYRK1A

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 5 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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US 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 USP1 2251/4885WDR48 1634/4885CLK4 2791/4885

“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.