SCHEMBL3604092

SCHEMBL3604092

CC(=O)NCCCNc1nccc(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.54
AURKA O14965 1/20 0.54
CDK4 P11802 1/20 0.54
CDK2 P24941 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
AURKB Q96GD4 1/20 0.54
SYK P43405 2/20 0.41
JAK2 O60674 6/20 0.40
JAK3 P52333 2/20 0.40
RET P07949 2/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 3/20 0.39
KIT P10721 2/20 0.39
PDGFRA P16234 2/20 0.39
HDAC3 O15379 1/20 0.39
EGFR P00533 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 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
SCHEMBL3603519 0.89 SYK (0.49) CDK1AURKACDK4CDK2CDK7
SCHEMBL3606836 0.86 SYK (0.47) CDK1AURKACDK4CDK2CDK7
SCHEMBL14140367 0.84 ABL1 (0.48) CDK1AURKACDK4CDK2AURKB
SCHEMBL3607290 0.83 ABL1 (0.43) CDK1CDK2SYKJAK2HDAC6
SCHEMBL3605169 0.83 CDK2 (0.51) CDK1CDK4CDK2CDK7CDK9
SCHEMBL3603517 0.80 ABL1 (0.41) CDK1AURKACDK4CDK2CDK7
SCHEMBL3609681 0.80 CDK2 (0.51) CDK1AURKACDK4CDK2CDK7
SCHEMBL3602605 0.73 CDK2 (0.50) CDK1CDK4CDK2CDK7CDK9
SCHEMBL3608990 0.72 MAPT (0.52) CDK1CDK4CDK2CDK7CDK9
SCHEMBL4170843 0.72 CDK2 (0.77) CDK1AURKACDK4CDK2CDK7

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 3769/4885AURKA 3792/4885CDK4 2775/4885

“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.