SCHEMBL5115928

SCHEMBL5115928

Cc1sc2nc(-c3ccncc3)nc(NCc3ccc4c(c3)OCCO4)c2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 14/20 0.46
CHRM4 P08173 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5815092 0.96 PRKCI (0.43) PRKCICHRM4GAAMAPTNPSR1
SCHEMBL5128775 0.94 MAPT (0.47) PRKCICHRM4GAAMAPTNPSR1
SCHEMBL7513678 0.91 MAPT (0.44) PRKCICHRM4GAAMAPTNPSR1
SCHEMBL7615852 0.91 PRKCI (0.49) PRKCI
SCHEMBL5123014 0.91 PRKCI (0.58) PRKCICHRM4GAAMAPTNPSR1
SCHEMBL5128699 0.89 MAPT (0.54) CHRM4GAAMAPTNPSR1DYRK1A
SCHEMBL5129890 0.86 PRKCI (0.51) PRKCI
SCHEMBL7171668 0.86 MAPT (0.51) CHRM4GAAMAPTNPSR1DYRK1A
SCHEMBL5121690 0.86 CHRM4 (0.41) CHRM4MAPTNPSR1CLK1CLK2
SCHEMBL5124992 0.85 PRKCI (0.49) PRKCI

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 1513/4885CHRM4 4573/4885GAA 3377/4885

“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.