SCHEMBL3597151

SCHEMBL3597151

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.49
CDK2 P24941 3/20 0.49
GSK3B P49841 2/20 0.49
DYRK1A Q13627 1/20 0.49
ABL1 P00519 3/20 0.43
BCR P11274 2/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
SYK P43405 4/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
SMG1 Q96Q15 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
BRD4 O60885 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3608990 0.87 MAPT (0.52) CDK4CDK2ABL1BCRPRKCA
SCHEMBL3611125 0.86 MAPT (0.52) CDK4CDK2ABL1BCRPRKCA
SCHEMBL3602838 0.86 CDK4 (0.54) CDK4CDK2GSK3BDYRK1AABL1
SCHEMBL3600716 0.84 ABL1 (0.55) CDK2GSK3BABL1BCRPDGFRB
SCHEMBL3609785 0.84 CDK1 (0.56) CDK2GSK3BABL1PDGFRBSYK
SCHEMBL3607412 0.81 ABL1 (0.52) CDK4CDK2ABL1BCRPRKCA
SCHEMBL14140367 0.79 ABL1 (0.48) CDK4CDK2GSK3BDYRK1AABL1
SCHEMBL3612331 0.78 MAPT (0.49) CDK4CDK2ABL1BCRPRKCA
SCHEMBL3605169 0.77 CDK2 (0.51) CDK4CDK2ABL1BCRPRKCA
SCHEMBL3611150 0.77 CDK2 (0.50) CDK4CDK2ABL1BCRPRKCA

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 CDK4 2775/4885CDK2 3078/4885GSK3B 3423/4885

“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.