SCHEMBL3528008

SCHEMBL3528008

CC(C)c1c(N[C@H]2CC[C@H](N)CC2)nn2ccnc2c1Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.55
CDK1 P06493 2/20 0.40
CCNE1 P24864 6/20 0.38
CDK2 P24941 6/20 0.38
PDGFRA P16234 5/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
FLT3 P36888 2/20 0.37
BTK Q06187 1/20 0.37
MAPK8 P45983 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
F10 P00742 1/20 0.36
BUB1 O43683 1/20 0.36
IGF1R P08069 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3026003 0.86 CCNE1 (0.48) MAPKAPK2CDK1CCNE1CDK2PDGFRA
SCHEMBL3025994 0.86 CCNE1 (0.48) MAPKAPK2CDK1CCNE1CDK2PDGFRA
SCHEMBL3011874 0.79 MAPKAPK2 (0.45) MAPKAPK2SIRT2CTSVCTSLF10
SCHEMBL3006282 0.79 CDK2 (0.45) MAPKAPK2CDK1CCNE1CDK2PDGFRA
SCHEMBL3006286 0.79 CDK2 (0.45) MAPKAPK2CDK1CCNE1CDK2PDGFRA
SCHEMBL3006441 0.79 CDK2 (0.42) MAPKAPK2CDK1CCNE1CDK2PDGFRA
SCHEMBL3006444 0.79 CDK2 (0.42) MAPKAPK2CDK1CCNE1CDK2PDGFRA
SCHEMBL3009064 0.78 CDK1 (0.51) MAPKAPK2CDK1CCNE1CDK2PDGFRA
SCHEMBL3021799 0.77 FLT3 (0.40) CCNE1CDK2PDGFRAFLT3BTK
SCHEMBL3021801 0.77 FLT3 (0.40) CCNE1CDK2PDGFRAFLT3BTK

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-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPKAPK2 24/4885CDK1 105/4885CCNE1 538/4885

“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.