SCHEMBL4057901

SCHEMBL4057901

C[C@@H](CO)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 17/20 1.00
CDK2 P24941 17/20 1.00
KDR P35968 15/20 1.00
CA2 P00918 4/20 1.00
CDK4 P11802 2/20 1.00
CDK7 P50613 2/20 1.00
CDK9 P50750 2/20 1.00
CCNT1 O60563 1/20 1.00
CCND1 P24385 1/20 1.00
CCNH P51946 1/20 1.00
CCNB1 P14635 3/20 0.98
CCNE1 P24864 3/20 0.98

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
SCHEMBL4066990 1.00 CDK1 (1.00) CDK1CDK2KDRCA2CDK4
SCHEMBL4065828 1.00 CDK1 (1.00) CDK1CDK2KDRCA2CDK4
SCHEMBL4065960 0.90 CDK1 (0.82) CDK1CDK2KDRCA2CDK4
SCHEMBL3932334 0.90 CDK1 (0.82) CDK1CDK2KDRCA2CDK4
SCHEMBL4058647 0.90 CDK1 (0.82) CDK1CDK2KDRCA2CDK4
SCHEMBL4057630 0.89 CDK1 (0.80) CDK1CDK2KDRCA2CDK4
SCHEMBL4063258 0.89 CDK1 (0.80) CDK1CDK2KDRCA2CDK4
SCHEMBL13648941 0.89 CDK1 (0.79) CDK1CDK2KDRCA2CDK4
SCHEMBL4061119 0.89 CDK1 (0.80) CDK1CDK2KDRCA2CDK4
SCHEMBL4072361 0.87 CDK1 (0.77) CDK1CDK2KDRCA2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672866-B2 Osteotropic nanoparticles for prevention or treatment of bone metastases UNM RAINFOREST INNOVATIONS 2023-06-13 US claimed
CN-100480242-C CDK-inhibiting pyrimidine compounds, method for the production thereof and use thereof as medicaments SCHERING AG (DE) 2009-04-22 CN claimed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP claimed
US-11672866-B2 Osteotropic nanoparticles for prevention or treatment of bone metastases UNM RAINFOREST INNOVATIONS 2023-06-13 US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 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-11672866-B2 Osteotropic nanoparticles for prevention or treatment of bone metastases SOST, ACP3, KLK3 CDK1 3269/4885CDK2 2887/4885KDR 664/4885
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 CDK1 2/4885CDK2 1/4885KDR 1504/4885

“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.