SCHEMBL3021863

SCHEMBL3021863

Nc1nn2ccnc2c(Nc2ccccc2F)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.36
MAPK10 P53779 4/20 0.36
MAPK9 P45984 3/20 0.36
MAPK14 Q16539 3/20 0.36
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
KDM4E B2RXH2 2/20 0.32
JAK2 O60674 3/20 0.32
JAK3 P52333 3/20 0.32
PTK2 Q05397 1/20 0.32
ATR Q13535 2/20 0.31
KDM1A O60341 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
SYK P43405 1/20 0.31
MAPT P10636 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
SCHEMBL3022028 0.92 CCNE1 (0.33) MAPK8MAPK10MAPK9MAPK14CCNE1
SCHEMBL3530449 0.90 MAPK8 (0.37) MAPK8MAPK10MAPK9MAPK14CCNE1
SCHEMBL3026483 0.90 MAPK8 (0.37) MAPK8MAPK10MAPK9MAPK14CCNE1
SCHEMBL3018187 0.89 MAPK8 (0.38) MAPK8MAPK10MAPK9MAPK14CCNE1
SCHEMBL3016709 0.89 CCNE1 (0.34) MAPK8MAPK10MAPK9MAPK14CCNE1
SCHEMBL3529870 0.87 EGFR (0.39) MAPK8MAPK10CCNE1CDK2FLT3
SCHEMBL3020341 0.87 CDK2 (0.40) MAPK8CCNE1CDK2FLT3JAK2
SCHEMBL3019758 0.87 FLT3 (0.36) CCNE1CDK2FLT3
SCHEMBL3023317 0.87 FLT3 (0.39) MAPK8MAPK10MAPK9MAPK14CCNE1
SCHEMBL3010978 0.87 IRAK4 (0.34) CCNE1CDK2FLT3JAK2JAK3

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 MAPK8 66/4885MAPK10 107/4885MAPK9 89/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 MAPK8 392/4885MAPK10 1100/4885MAPK9 269/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 MAPK8 84/4885MAPK10 99/4885MAPK9 88/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 MAPK8 392/4885MAPK10 1100/4885MAPK9 269/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPK8 78/4885MAPK10 96/4885MAPK9 77/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 MAPK8 392/4885MAPK10 1100/4885MAPK9 269/4885

“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.