SCHEMBL3021744

SCHEMBL3021744

Nc1nn2ccnc2c(Nc2ccc(F)c(F)c2)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.36
CCNE1 P24864 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
MAPKAPK2 P49137 4/20 0.34
TDO2 P48775 3/20 0.34
IDO1 P14902 2/20 0.34
ROCK2 O75116 1/20 0.33
MAPK9 P45984 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MAPKAPK5 Q8IW41 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
LCK P06239 1/20 0.32
KDR P35968 1/20 0.32
BUB1 O43683 2/20 0.32
APP P05067 4/20 0.31
PAK4 O96013 1/20 0.31
PAK1 Q13153 1/20 0.31

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
SCHEMBL3020715 0.91 CDK2 (0.35) CDK2CCNE1FLT3GSK3BRAPGEF4
SCHEMBL3021150 0.91 LMNA (0.37) CDK2CCNE1FLT3GSK3BRAPGEF4
SCHEMBL3018529 0.89 FLT3 (0.38) CDK2CCNE1FLT3TDO2IDO1
SCHEMBL3028225 0.87 EGFR (0.40) CDK2CCNE1FLT3RAPGEF4TDO2
SCHEMBL3026217 0.86 CCNE1 (0.38) CDK2CCNE1FLT3TDO2
SCHEMBL3014102 0.86 SYK (0.35) CDK2CCNE1FLT3RAPGEF4TDO2
SCHEMBL3011164 0.86 CCNE1 (0.39) CDK2CCNE1FLT3
SCHEMBL3027054 0.86 FLT3 (0.36) CDK2CCNE1FLT3TDO2IDO1
SCHEMBL3017867 0.86 FLT3 (0.36) CDK2CCNE1FLT3TDO2IDO1
SCHEMBL3016709 0.85 CCNE1 (0.34) CDK2CCNE1FLT3MAPK9DHFR

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 12 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-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
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP 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
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 (6 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-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.