SCHEMBL3609681

SCHEMBL3609681

CC(=O)NCCCNc1nccc(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.51
CDK4 P11802 7/20 0.51
ABL1 P00519 4/20 0.51
BCR P11274 3/20 0.51
PRKCA P17252 3/20 0.51
EGFR P00533 2/20 0.50
SRC P12931 1/20 0.50
CCNT1 O60563 4/20 0.49
CDK9 P50750 4/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CCNA2 P20248 2/20 0.49
GSK3B P49841 2/20 0.49
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
AURKA O14965 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49

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) CDK2CDK4ABL1BCREGFR
SCHEMBL3605169 0.86 CDK2 (0.51) CDK2CDK4ABL1BCRPRKCA
SCHEMBL3603519 0.85 SYK (0.49) CDK2CDK4ABL1BCREGFR
SCHEMBL3607290 0.85 ABL1 (0.43) CDK2ABL1BCREGFRSRC
SCHEMBL3603517 0.83 ABL1 (0.41) CDK2CDK4ABL1BCREGFR
SCHEMBL3604092 0.80 CDK1 (0.54) CDK2CDK4EGFRCDK9CDK1
SCHEMBL3606836 0.78 SYK (0.47) CDK2CDK4ABL1BCRPRKCA
SCHEMBL3602605 0.77 CDK2 (0.50) CDK2CDK4ABL1BCRPRKCA
SCHEMBL3608990 0.77 MAPT (0.52) CDK2CDK4ABL1BCRPRKCA
SCHEMBL3611125 0.76 MAPT (0.52) CDK2CDK4ABL1BCRPRKCA

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 2 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

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 CDK2 3078/4885CDK4 2775/4885ABL1 3215/4885

“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.