SCHEMBL3529960

SCHEMBL3529960

COc1ccc(CCNc2cc(N[C@H]3CC[C@H](N)CC3)nn3ccnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.48
CDK2 P24941 6/20 0.48
FLT3 P36888 3/20 0.48
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK6 Q16659 2/20 0.37
TSHR P16473 2/20 0.37
PDGFRA P16234 1/20 0.37
TP53 P04637 1/20 0.36
CCNE2 O96020 2/20 0.36
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
CCNT1 O60563 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL3527709 0.91 CCNE1 (0.49) CCNE1CDK2FLT3MAPK6PDGFRA
SCHEMBL3022529 0.79 CCNE1 (0.59) CCNE1CDK2FLT3PDGFRASYK
SCHEMBL3018204 0.78 FLT3 (0.51) CCNE1CDK2FLT3CCNE2CCNA2
SCHEMBL3021286 0.78 CDK2 (0.60) CCNE1CDK2FLT3MAPKAPK2
SCHEMBL13213694 0.78 CDK2 (0.60) CCNE1CDK2FLT3MAPKAPK2
SCHEMBL5461682 0.77 CDK2 (0.56) CCNE1CDK2FLT3CCNE2CCNT1
SCHEMBL12012863 0.77 CCNE1 (0.64) CCNE1CDK2FLT3MAPKAPK2
SCHEMBL3255166 0.75 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3019793 0.75 CCNE1 (0.67) CCNE1CDK2FLT3SYK
SCHEMBL5467120 0.75 FLT3 (0.61) CCNE1CDK2FLT3SYK

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.