Sugi Predict

Sugi Predict / Compounds / SCHEMBL6893517

SCHEMBL6893517

SCHEMBL6893517

CC(C)N(CCO)c1nc(Nc2cccc(Cl)c2)n2ncc(Br)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 4/20 0.47
▸ CDK5R1 Q15078 4/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.40
▸ CDK1 P06493 6/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ EIF2AK2 P19525 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ MAPK1 P28482 3/20 0.39
▸ CSNK2A1 P68400 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37

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
SCHEMBL6893510 0.77 CDK1 (0.59) CDK5CDK5R1KDM4ECDK1CCNB1
SCHEMBL6893513 0.77 CDK1 (0.59) CDK5CDK5R1KDM4ECDK1CCNB1
SCHEMBL1918669 0.76 GSK3B (0.41) CDK5CDK5R1KDM4EGSK3BMAPT
SCHEMBL3311123 0.75 CDK5 (0.79) CDK5CDK5R1ATMKDM4ECDK1
SCHEMBL1918959 0.74 GSK3B (0.55) GSK3BCCNE1CDK2
SCHEMBL6885247 0.74 SRC (0.48) KDM4EMAPK1CSNK2A1MAPTMEN1
SCHEMBL6206176 0.70 CDK5 (0.49) CDK5CDK5R1ATMKDM4ECDK1
SCHEMBL6202531 0.68 CDK5 (0.46) CDK5CDK5R1ATMKDM4ECDK1
SCHEMBL14427508 0.68 GSK3B (0.50) KDM4EGSK3BMAPK1CSNK2A1MAPT
SCHEMBL6886307 0.65 CLK2 (0.57) CDK5CDK5R1CDK1CCNB1EIF2AK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048849-A1 Cyclin-dependent kinase (cdk) and glycolene synthase kinase-3 (gsk-3) inhibitors IPSEN PHARMA S.A.S. (FR) 2004-03-11 — — US claimed
US-20040138245-A1 Product comprising mikanolide, dihydromikanolide or an analogue thereof combine with another anti-cancer agent for therapeutic use in cancer treatment SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-15 — — US disclosed
US-20040048849-A1 Cyclin-dependent kinase (cdk) and glycolene synthase kinase-3 (gsk-3) inhibitors IPSEN PHARMA S.A.S. (FR) 2004-03-11 — — 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 (2 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-20040048849-A1 Cyclin-dependent kinase (cdk) and glycolene synthase kinase-3 (gsk-3) inhibitors CDK1, CDK3, CDKL3 CDK5 37/4885CDK5R1 51/4885ATM 950/4885
US-20040138245-A1 Product comprising mikanolide, dihydromikanolide or an analogue thereof combine with another anti-cancer agent for therapeutic use in cancer treatment DTYMK, DGKG, DGKZ CDK5 988/4885CDK5R1 951/4885ATM 3093/4885

“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.