SCHEMBL3609399

SCHEMBL3609399

CC(=O)NCCCNc1ncccc1-c1nc(Nc2cccc(Cl)c2)ncc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.49
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TBK1 Q9UHD2 3/20 0.41
STK17A Q9UEE5 4/20 0.41
JAK2 O60674 3/20 0.41
FLT3 P36888 1/20 0.41
CDK2 P24941 2/20 0.40
STK17B O94768 1/20 0.40
AURKA O14965 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
MAPT P10636 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
XBP1 P17861 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40

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
SCHEMBL3608585 0.87 STK17A (0.45) SIRT5NPC1RAB9ASTK17AJAK2
SCHEMBL3608844 0.87 STK17A (0.56) STK17ASTK17B
SCHEMBL3608990 0.85 MAPT (0.52) SIRT5ALDH1A1NPC1RAB9AJAK2
SCHEMBL3602339 0.84 CDK1 (0.51) SIRT5ALDH1A1NPC1RAB9ACDK2
SCHEMBL3611125 0.84 MAPT (0.52) SIRT5ALDH1A1NPC1RAB9AJAK2
SCHEMBL3610608 0.83 CDK1 (0.56) SIRT5NPC1RAB9AJAK2FLT3
SCHEMBL3608858 0.81 AXL (0.41) SIRT5NPC1RAB9ASTK17AJAK2
SCHEMBL3612924 0.80 SIRT5 (0.45) SIRT5TBK1FLT3CDK2AURKA
SCHEMBL3607412 0.79 ABL1 (0.52) ALDH1A1NPC1RAB9AJAK2CDK2
SCHEMBL3605169 0.79 CDK2 (0.51) SIRT5NPC1RAB9AJAK2CDK2

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 SIRT5 2556/4885ALDH1A1 119/4885NPC1 158/4885

“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.