SCHEMBL3603519

SCHEMBL3603519

CC(=O)NCCCNc1nccc(-c2ccnc(Nc3cccc(CNC(C)=O)c3)n2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.49
CDK1 P06493 2/20 0.43
AURKA O14965 1/20 0.43
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
AURKB Q96GD4 1/20 0.43
EGFR P00533 2/20 0.41
BTK Q06187 1/20 0.41
PTK2 Q05397 2/20 0.41
ABL1 P00519 3/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
BRD4 O60885 1/20 0.40
SRC P12931 1/20 0.40
BCR P11274 2/20 0.40
JAK2 O60674 2/20 0.40
TBK1 Q9UHD2 2/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL3607290 0.92 ABL1 (0.43) SYKCDK1CDK2EGFRABL1
SCHEMBL14140367 0.90 ABL1 (0.48) SYKCDK1AURKACDK4CDK2
SCHEMBL3604092 0.89 CDK1 (0.54) SYKCDK1AURKACDK4CDK2
SCHEMBL3605169 0.89 CDK2 (0.51) CDK1CDK4CDK2CDK7CDK9
SCHEMBL3606836 0.87 SYK (0.47) SYKCDK1AURKACDK4CDK2
SCHEMBL3609681 0.85 CDK2 (0.51) CDK1AURKACDK4CDK2CDK7
SCHEMBL3603517 0.85 ABL1 (0.41) SYKCDK1AURKACDK4CDK2
SCHEMBL3602605 0.79 CDK2 (0.50) CDK1CDK4CDK2CDK7CDK9
SCHEMBL3608990 0.79 MAPT (0.52) CDK1CDK4CDK2CDK7CDK9
SCHEMBL3611125 0.78 MAPT (0.52) CDK1CDK4CDK2CDK7CDK9

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 SYK 2976/4885CDK1 3769/4885AURKA 3792/4885

“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.