SCHEMBL3525593

SCHEMBL3525593

Nc1nn2ccnc2c(Nc2cccc(Cc3ccccc3)c2)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.34
TNK2 Q07912 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
PDGFRA P16234 1/20 0.34
JAK2 O60674 3/20 0.33
JAK3 P52333 3/20 0.33
FLT3 P36888 2/20 0.33
USP30 Q70CQ3 2/20 0.33
MERTK Q12866 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
BUB1 O43683 1/20 0.32
IDO1 P14902 1/20 0.32
IGF1R P08069 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
SCHEMBL3532087 0.92 TNK2 (0.37) SYKTNK2CCNE1CDK2JAK2
SCHEMBL3528275 0.91 SYK (0.37) SYKCCNE1CDK2PDGFRAJAK2
SCHEMBL3017753 0.90 RAPGEF4 (0.39) SYKCCNE1CDK2FLT3IDO1
SCHEMBL3023111 0.88 CDK2 (0.37) SYKTNK2CCNE1CDK2PDGFRA
SCHEMBL3006896 0.88 CDK2 (0.37) SYKTNK2CCNE1CDK2PDGFRA
SCHEMBL3018103 0.88 CDK2 (0.37) SYKTNK2CCNE1CDK2PDGFRA
SCHEMBL3010338 0.88 SYK (0.39) SYKTNK2CCNE1CDK2FLT3
SCHEMBL3011874 0.88 MAPKAPK2 (0.45) TNK2MAPKAPK2IGF1R
SCHEMBL3528528 0.85 TNK2 (0.36) SYKTNK2MAPKAPK2
SCHEMBL3018600 0.85 TDO2 (0.35) CCNE1CDK2JAK2JAK3FLT3

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 9 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
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO 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

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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 SYK 605/4885TNK2 158/4885CCNE1 598/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 SYK 1941/4885TNK2 138/4885CCNE1 1270/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SYK 1941/4885TNK2 138/4885CCNE1 1270/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 SYK 701/4885TNK2 159/4885CCNE1 538/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SYK 1941/4885TNK2 138/4885CCNE1 1270/4885

“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.