SCHEMBL3526043

SCHEMBL3526043

CN(C)S(=O)(=O)c1ccc(Nc2cc(NC3CCC(N)CC3)nn3ccnc23)cc1O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.61
CCNE1 P24864 13/20 0.61
FLT3 P36888 13/20 0.61
GSK3B P49841 7/20 0.48
CHEK1 O14757 1/20 0.44
CDK1 P06493 1/20 0.44
KIT P10721 1/20 0.40

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
SCHEMBL3253433 1.00 CDK2 (0.61) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3022717 1.00 CDK2 (0.61) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3527740 0.87 CDK2 (0.73) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3019390 0.87 CDK2 (0.73) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3248791 0.87 CDK2 (0.73) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3024616 0.86 CDK2 (0.45) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3019131 0.86 CDK2 (0.45) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3019129 0.86 CDK2 (0.45) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3529856 0.85 CDK2 (0.63) CDK2CCNE1FLT3GSK3BCHEK1
SCHEMBL3022674 0.85 CDK2 (0.63) CDK2CCNE1FLT3GSK3BCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP claimed
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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US claimed
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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (4 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 CDK2 50/4885CCNE1 598/4885FLT3 155/4885
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-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.