SCHEMBL3600573

SCHEMBL3600573

COCCOCCOCCOCCC(=O)NCCCNc1nccc(-c2ccnc(Nc3cccc(Cl)c3)n2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.49
SIRT5 Q9NXA8 2/20 0.46
CDK2 P24941 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
XBP1 P17861 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CDK4 P11802 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
MTOR P42345 1/20 0.44
CDK7 P50613 1/20 0.44

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
SCHEMBL13502999 0.92 TBK1 (0.51) TBK1SIRT5CDK2CDK1CCNB1
SCHEMBL3597064 0.86 PIK3CA (0.52) CDK2MAPTNPC1XBP1MAPK1
SCHEMBL3605169 0.85 CDK2 (0.51) SIRT5CDK2MAPTNPC1XBP1
SCHEMBL3596068 0.82 CDK2 (0.49) SIRT5CDK2MAPTNPC1XBP1
SCHEMBL3608406 0.81 CAMK2D (0.53) SIRT5CDK2MAPTNPC1XBP1
SCHEMBL3609046 0.80 CDK1 (0.65) CDK2MAPTNPC1XBP1MAPK1
SCHEMBL14140481 0.79 CAMK2D (0.49) SIRT5CDK2MAPTNPC1XBP1
SCHEMBL3602192 0.79 CAMK2D (0.58) CDK2MAPTNPC1XBP1MAPK1
SCHEMBL3606836 0.79 SYK (0.47) SIRT5CDK2MAPTNPC1XBP1
SCHEMBL3603147 0.78 CAMK2D (0.52) SIRT5CDK2MAPTNPC1XBP1

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 TBK1 3957/4885SIRT5 2556/4885CDK2 3078/4885

“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.