SCHEMBL3596199

SCHEMBL3596199

CC(O)CNc1nc(Nc2cccc(Cl)c2)c2ncn(-c3ccsc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.55
CCNB1 P14635 3/20 0.55
EIF2AK2 P19525 1/20 0.55
GSK3B P49841 1/20 0.55
MERTK Q12866 1/20 0.55
KDM4E B2RXH2 4/20 0.53
CDK5 Q00535 3/20 0.53
CDK5R1 Q15078 3/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 3/20 0.51
CCNE1 P24864 3/20 0.51
CDK2 P24941 3/20 0.51
CDK4 P11802 2/20 0.51
MEN1 O00255 1/20 0.51
CCNB2 O95067 1/20 0.51
PAK4 O96013 1/20 0.51
CCNE2 O96020 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL7093069 0.82 CDK1 (0.79) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL8712255 0.81 CDK1 (0.76) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL5840584 0.81 CDK1 (0.76) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL27842356 0.76 CDK1 (0.78) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL3445090 0.76 CDK1 (0.53) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL3445747 0.75 CDK1 (0.55) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL3445056 0.74 CDK1 (0.52) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL5841700 0.72 CDK1 (0.76) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL5840274 0.72 CDK1 (0.75) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL3445263 0.71 CDK1 (0.48) CDK1CCNB1EIF2AK2GSK3BMERTK

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
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
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK CDK1 146/4885CCNB1 1386/4885EIF2AK2 422/4885

“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.