SCHEMBL3527709

SCHEMBL3527709

COc1ccc(CNc2cc(N[C@H]3CC[C@H](N)CC3)nn3ccnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.49
CDK2 P24941 4/20 0.49
FLT3 P36888 4/20 0.49
MAPKAPK2 P49137 2/20 0.41
CCNT1 O60563 3/20 0.41
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MAPK14 Q16539 1/20 0.39
MAPK6 Q16659 2/20 0.38
PDGFRA P16234 1/20 0.38
PDE10A Q9Y233 1/20 0.38
JAK2 O60674 1/20 0.37
PTK2 Q05397 1/20 0.37

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
SCHEMBL3529960 0.91 CCNE1 (0.48) CCNE1CDK2FLT3MAPKAPK2CCNT1
SCHEMBL3018204 0.87 FLT3 (0.51) CCNE1CDK2FLT3MAPKAPK2CCNT1
SCHEMBL3018058 0.81 FLT3 (0.55) CCNE1CDK2FLT3MAPKAPK2CCNT1
SCHEMBL3022529 0.81 CCNE1 (0.59) CCNE1CDK2FLT3PDGFRA
SCHEMBL3021286 0.79 CDK2 (0.60) CCNE1CDK2FLT3MAPKAPK2
SCHEMBL13213694 0.79 CDK2 (0.60) CCNE1CDK2FLT3MAPKAPK2
SCHEMBL5461682 0.79 CDK2 (0.56) CCNE1CDK2FLT3MAPKAPK2CCNT1
SCHEMBL3017830 0.78 FLT3 (0.52) CCNE1CDK2FLT3MAPKAPK2CCNT1
SCHEMBL12012863 0.78 CCNE1 (0.64) CCNE1CDK2FLT3MAPKAPK2
SCHEMBL3019793 0.77 CCNE1 (0.67) CCNE1CDK2FLT3

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 CCNE1 538/4885CDK2 67/4885FLT3 334/4885

“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.