SCHEMBL3006441

SCHEMBL3006441

CCNS(=O)(=O)c1cccc(Nc2c(C(C)C)c(N[C@H]3CC[C@H](N)CC3)nn3ccnc23)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.42
CCNE1 P24864 4/20 0.42
FLT3 P36888 2/20 0.42
SYK P43405 2/20 0.41
TNNI3K Q59H18 1/20 0.38
CDK1 P06493 6/20 0.37
TGFBR1 P36897 1/20 0.37
PDGFRA P16234 2/20 0.37
MAPKAPK2 P49137 2/20 0.36
EML4 Q9HC35 1/20 0.36
ALK Q9UM73 1/20 0.36
PRKCA P17252 1/20 0.36
PDE5A O76074 1/20 0.35
MAPK8 P45983 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL3006444 1.00 CDK2 (0.42) CDK2CCNE1FLT3SYKTNNI3K
SCHEMBL3025000 0.90 CDK2 (0.47) CDK2CCNE1FLT3SYKCDK1
SCHEMBL3024993 0.90 CDK2 (0.47) CDK2CCNE1FLT3SYKCDK1
SCHEMBL3025994 0.84 CCNE1 (0.48) CDK2CCNE1FLT3SYKCDK1
SCHEMBL3026003 0.84 CCNE1 (0.48) CDK2CCNE1FLT3SYKCDK1
SCHEMBL3528008 0.79 MAPKAPK2 (0.55) CDK2CCNE1FLT3CDK1PDGFRA
SCHEMBL3006282 0.78 CDK2 (0.45) CDK2CCNE1FLT3SYKCDK1
SCHEMBL3006286 0.78 CDK2 (0.45) CDK2CCNE1FLT3SYKCDK1
SCHEMBL3021799 0.76 FLT3 (0.40) CDK2CCNE1FLT3SYKPDGFRA
SCHEMBL3021801 0.76 FLT3 (0.40) CDK2CCNE1FLT3SYKPDGFRA

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 8 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 claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
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 (5 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-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 CDK2 665/4885CCNE1 1270/4885FLT3 3630/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CDK2 40/4885CCNE1 468/4885FLT3 345/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CDK2 665/4885CCNE1 1270/4885FLT3 3630/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CDK2 67/4885CCNE1 538/4885FLT3 334/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CDK2 665/4885CCNE1 1270/4885FLT3 3630/4885

“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.