SCHEMBL3532244

SCHEMBL3532244

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
JAK2 O60674 6/20 0.36
JAK3 P52333 6/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
PTK2 Q05397 4/20 0.35
EGFR P00533 3/20 0.34
CDK2 P24941 2/20 0.33
CCNE1 P24864 1/20 0.33
FLT3 P36888 1/20 0.33
TNK2 Q07912 1/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.32
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
TERT O14746 2/20 0.31
ATR Q13535 1/20 0.31
APP P05067 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
SCHEMBL3023975 0.87 EGFR (0.40) PTK2EGFRCDK2CCNE1FLT3
SCHEMBL3014763 0.86 IDO1 (0.38) JAK2JAK3EGFRCDK2CCNE1
SCHEMBL3026274 0.85 EGFR (0.40) EGFRCDK2CCNE1FLT3ERBB2
SCHEMBL3018600 0.85 TDO2 (0.35) JAK2JAK3EGFRCDK2CCNE1
SCHEMBL3028225 0.85 EGFR (0.40) JAK2JAK3EGFRCDK2CCNE1
SCHEMBL3017753 0.85 RAPGEF4 (0.39) CDK2CCNE1FLT3SYK
SCHEMBL3010262 0.85 CDK1 (0.41) PTK2EGFRFLT3TNK2FYN
SCHEMBL3533525 0.85 PTK2 (0.37) JAK2JAK3JAK1TYK2PTK2
SCHEMBL3006896 0.85 CDK2 (0.37) JAK2JAK3EGFRCDK2CCNE1
SCHEMBL3023111 0.85 CDK2 (0.37) JAK2JAK3EGFRCDK2CCNE1

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 8 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-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 (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 KDM1A 1262/4885JAK2 228/4885JAK3 100/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 KDM1A 2217/4885JAK2 1554/4885JAK3 852/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KDM1A 2217/4885JAK2 1554/4885JAK3 852/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KDM1A 1586/4885JAK2 212/4885JAK3 120/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KDM1A 2217/4885JAK2 1554/4885JAK3 852/4885

“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.