SCHEMBL3528275

SCHEMBL3528275

NCc1cccc(Nc2c3nccn3nc(N)c2[C@H]2CC[C@H](N)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
BRD4 O60885 1/20 0.35
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
FLT3 P36888 1/20 0.33
IDO1 P14902 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
TPSAB1 Q15661 10/20 0.32
TPSD1 Q9BZJ3 9/20 0.32
TPSG1 Q9NRR2 9/20 0.32
PDGFRA P16234 1/20 0.31
JAK2 O60674 2/20 0.31
BPTF Q12830 1/20 0.31
JAK1 P23458 1/20 0.31
CFD P00746 1/20 0.31
JAK3 P52333 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
SCHEMBL3017753 0.91 RAPGEF4 (0.39) SYKCCNE1CDK2FLT3IDO1
SCHEMBL3525593 0.91 SYK (0.34) SYKCCNE1CDK2FLT3IDO1
SCHEMBL3527867 0.90 CCNE1 (0.37) SYKCCNE1CDK2FLT3
SCHEMBL3018600 0.86 TDO2 (0.35) CCNE1CDK2FLT3JAK2JAK3
SCHEMBL3028225 0.86 EGFR (0.40) SYKCCNE1CDK2FLT3IDO1
SCHEMBL3026274 0.86 EGFR (0.40) SYKCCNE1CDK2FLT3IDO1
SCHEMBL3023975 0.86 EGFR (0.40) SYKCCNE1CDK2FLT3
SCHEMBL3006896 0.86 CDK2 (0.37) SYKCCNE1CDK2FLT3PDGFRA
SCHEMBL3023111 0.86 CDK2 (0.37) SYKCCNE1CDK2FLT3PDGFRA
SCHEMBL3018103 0.86 CDK2 (0.37) SYKCCNE1CDK2FLT3PDGFRA

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
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO 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 605/4885BRD4 844/4885CCNE1 598/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 SYK 1941/4885BRD4 396/4885CCNE1 1270/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SYK 1941/4885BRD4 396/4885CCNE1 1270/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 SYK 701/4885BRD4 694/4885CCNE1 538/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SYK 1941/4885BRD4 396/4885CCNE1 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.