SCHEMBL3609785

SCHEMBL3609785

CC(=O)NCCCNc1ncccc1-c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.56
CDK2 P24941 9/20 0.56
MTOR P42345 6/20 0.56
SMG1 Q96Q15 5/20 0.56
SLC2A1 P11166 1/20 0.51
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
CDK9 P50750 10/20 0.48
CCNT1 O60563 9/20 0.48
CCNB1 P14635 9/20 0.48
CCNA2 P20248 5/20 0.48
CDK7 P50613 5/20 0.48
CCNH P51946 5/20 0.48
CCNA1 P78396 5/20 0.48
KDR P35968 2/20 0.46
AURKA O14965 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
MET P08581 1/20 0.46

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
SCHEMBL3600716 0.92 ABL1 (0.55) CDK1CDK2MTORSMG1SLC2A1
SCHEMBL3603518 0.88 CDK1 (0.58) CDK1CDK2MTORSMG1SLC2A1
SCHEMBL3608990 0.86 MAPT (0.52) CDK1CDK2MTORSMG1PIK3CA
SCHEMBL3611125 0.85 MAPT (0.52) CDK1CDK2MTORSMG1PIK3CA
SCHEMBL3597151 0.84 CDK4 (0.49) CDK2SMG1ABL1PDGFRBFLT3
SCHEMBL3609726 0.81 CDK9 (0.59) CDK1CDK2MTORSMG1SLC2A1
SCHEMBL3600662 0.81 SLC2A1 (0.51) CDK1CDK2MTORSMG1SLC2A1
SCHEMBL3607412 0.81 ABL1 (0.52) CDK1CDK2MTORSMG1PIK3CA
SCHEMBL14140367 0.78 ABL1 (0.48) CDK1CDK2PIK3CAPIK3CGCCNB1
SCHEMBL3619171 0.78 SLC2A1 (0.51) CDK1CDK2MTORSMG1SLC2A1

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-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CDK1 3769/4885CDK2 3078/4885MTOR 4191/4885

“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.