SCHEMBL3603517

SCHEMBL3603517

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
BCR P11274 1/20 0.40
CDK9 P50750 2/20 0.38
BRD4 O60885 1/20 0.38
JAK2 O60674 3/20 0.38
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
MTOR P42345 2/20 0.38
SMG1 Q96Q15 2/20 0.38
SIRT5 Q9NXA8 5/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PLK1 P53350 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
NPC1 O15118 1/20 0.37
CCNT1 O60563 1/20 0.37
MAPT P10636 1/20 0.37
CDK4 P11802 1/20 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
SCHEMBL14140367 0.88 ABL1 (0.48) ABL1EGFRSRCBCRJAK2
SCHEMBL3607290 0.86 ABL1 (0.43) ABL1EGFRSRCBCRJAK2
SCHEMBL3605169 0.86 CDK2 (0.51) ABL1BCRCDK9JAK2CDK1
SCHEMBL3603519 0.85 SYK (0.49) ABL1EGFRSRCBCRCDK9
SCHEMBL3609681 0.83 CDK2 (0.51) ABL1EGFRSRCBCRCDK9
SCHEMBL3604092 0.80 CDK1 (0.54) EGFRCDK9JAK2CDK1CDK2
SCHEMBL3606836 0.78 SYK (0.47) ABL1BCRCDK9CDK1CDK2
SCHEMBL3602605 0.77 CDK2 (0.50) ABL1BCRCDK9JAK2CDK1
SCHEMBL3608990 0.77 MAPT (0.52) ABL1EGFRSRCBCRCDK9
SCHEMBL3609785 0.76 CDK1 (0.56) ABL1CDK9CDK1CDK2MTOR

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 1 patent. 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

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 ABL1 3215/4885EGFR 4114/4885SRC 3229/4885

“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.