SCHEMBL3587372

SCHEMBL3587372

Cc1ccc(Nc2nc(Nc3ccc(S(=O)(=O)CCCO)cc3)c3ncn(-c4cccc(F)c4)c3n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.41
CDK1 P06493 7/20 0.40
CSNK1E P49674 3/20 0.40
NPC1 O15118 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
ABL1 P00519 2/20 0.37
BTK Q06187 2/20 0.37
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
ADORA2A P29274 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL4439037 0.92 CSNK1D (0.43) CSNK1DCDK1CSNK1ENPC1CDK5
SCHEMBL3600080 0.87 CSNK1D (0.41) CSNK1DCDK1CSNK1ENPC1CDK5
SCHEMBL3586487 0.80 ABL1 (0.39) CSNK1DCDK1CSNK1ENPC1CDK5
SCHEMBL3591847 0.79 GRM5 (0.49) CSNK1DNPC1RAB9A
SCHEMBL3589570 0.76 CSNK1D (0.41) CSNK1DCDK1CSNK1ENPC1CDK5
SCHEMBL3598513 0.75 CDK2 (0.45) CSNK1DCDK1CSNK1ECDK5ABL1
SCHEMBL3601333 0.71 AURKA (0.39) CSNK1DCDK1CSNK1ENPC1CDK5
SCHEMBL3597844 0.69 CSNK1D (0.41) CSNK1DCSNK1EABL1BTK
SCHEMBL3588335 0.69 BTK (0.48) CSNK1DCSNK1EABL1BTKPDE5A
SCHEMBL3595696 0.68 CDK1 (0.59) CDK1

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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US claimed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP claimed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO claimed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK CSNK1D 1542/4885CDK1 146/4885CSNK1E 1264/4885

“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.