SCHEMBL3014763

SCHEMBL3014763

CC(C)c1cccc(Nc2c3nccn3nc(N)c2[C@H]2CC[C@H](N)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
EGFR P00533 2/20 0.34
ERBB2 P04626 1/20 0.34
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
TNK2 Q07912 1/20 0.33
FLT3 P36888 1/20 0.33
BRAF P15056 1/20 0.33
CDK1 P06493 2/20 0.32
PDGFRA P16234 1/20 0.32
BUB1 O43683 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
TNNI3K Q59H18 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
TDO2 P48775 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
SCHEMBL3021618 0.89 CCNE1 (0.36) JAK2JAK3CCNE1CDK2TNK2
SCHEMBL3023975 0.88 EGFR (0.40) EGFRERBB2CCNE1CDK2FLT3
SCHEMBL3525557 0.87 SYK (0.34) CCNE1CDK2FLT3CDK1BUB1
SCHEMBL3018600 0.86 TDO2 (0.35) EGFRJAK2JAK3CCNE1CDK2
SCHEMBL3026274 0.86 EGFR (0.40) IDO1EGFRERBB2CCNE1CDK2
SCHEMBL3028225 0.86 EGFR (0.40) IDO1EGFRERBB2JAK2JAK3
SCHEMBL3533525 0.86 PTK2 (0.37) EGFRERBB2JAK2JAK3CCNE1
SCHEMBL3010262 0.86 CDK1 (0.41) IDO1EGFRTNK2FLT3CDK1
SCHEMBL3532244 0.86 KDM1A (0.36) EGFRERBB2JAK2JAK3CCNE1
SCHEMBL3017753 0.86 RAPGEF4 (0.39) IDO1CCNE1CDK2FLT3BRAF

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 10 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
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

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 IDO1 3038/4885EGFR 406/4885ERBB2 68/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 IDO1 168/4885EGFR 3674/4885ERBB2 2570/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 IDO1 3594/4885EGFR 492/4885ERBB2 91/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 IDO1 168/4885EGFR 3674/4885ERBB2 2570/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 IDO1 3512/4885EGFR 381/4885ERBB2 73/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 IDO1 168/4885EGFR 3674/4885ERBB2 2570/4885

“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.