SCHEMBL5123293

SCHEMBL5123293

CCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccno3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.43
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
CHRM4 P08173 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE5A O76074 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAP2K4 P45985 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
SCHEMBL7510257 0.95 PRKCI (0.39) PRKCIUSP1WDR48ICAM1SELE
SCHEMBL5130866 0.94 USP1 (0.46) PRKCIUSP1WDR48MAPTNPSR1
SCHEMBL7614334 0.91 PRKCI (0.46) PRKCIMAPTPDE5ALMNAKDM4E
SCHEMBL5128194 0.90 CHRM4 (0.41) USP1WDR48CHRM4MAPTNPSR1
SCHEMBL7505488 0.90 USP1 (0.42) PRKCIUSP1WDR48MAPTNPSR1
SCHEMBL5115557 0.88 USP1 (0.45) USP1WDR48CHRM4MAPTNPSR1
SCHEMBL5123478 0.88 USP1 (0.41) USP1WDR48CHRM4MAPTNPSR1
SCHEMBL5129789 0.86 PRKCI (0.45) PRKCIUSP1WDR48ICAM1SELE
SCHEMBL5115111 0.85 PRKCI (0.46) PRKCIUSP1WDR48MAPTNPSR1
SCHEMBL5127701 0.85 PRKCI (0.47) PRKCIUSP1WDR48ICAM1SELE

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 2 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

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 PRKCI 1513/4885USP1 2251/4885WDR48 1634/4885

“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.