SCHEMBL3011669

SCHEMBL3011669

N[C@H]1CC[C@H](Nc2cc(Nc3cccc(C(F)(F)F)c3)c3nccn3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.58
CDK2 P24941 4/20 0.58
FLT3 P36888 4/20 0.58
CDK1 P06493 2/20 0.49
MALT1 Q9UDY8 2/20 0.47
IDH2 P48735 3/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIM1 P11309 2/20 0.41
TYK2 P29597 1/20 0.41
APP P05067 1/20 0.40
PHGDH O43175 1/20 0.40
KCNH2 Q12809 1/20 0.40
CTSC P53634 2/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL12012864 0.86 CDK2 (0.68) CCNE1CDK2FLT3CDK1PIM1
SCHEMBL12013113 0.86 CDK2 (0.68) CCNE1CDK2FLT3CDK1PIM1
SCHEMBL3021676 0.85 CDK2 (0.61) CCNE1CDK2FLT3PIM1
SCHEMBL3021669 0.85 CDK2 (0.61) CCNE1CDK2FLT3PIM1
SCHEMBL3529667 0.84 CDK2 (0.59) CCNE1CDK2FLT3
SCHEMBL3025578 0.83 FLT3 (0.59) CCNE1CDK2FLT3CDK1
SCHEMBL4709074 0.83 CDK2 (0.58) CCNE1CDK2FLT3CDK1PIM1
SCHEMBL3023726 0.83 CDK2 (0.58) CCNE1CDK2FLT3
SCHEMBL3029033 0.83 CDK2 (0.58) CCNE1CDK2FLT3
SCHEMBL3009488 0.83 CDK2 (0.58) CCNE1CDK2FLT3CDK1PIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
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 (2 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CCNE1 468/4885CDK2 40/4885FLT3 345/4885
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.