SCHEMBL3525554

SCHEMBL3525554

CC(C)Oc1cccc(Nc2cc(N)nn3cc([C@H]4CC[C@H](N)CC4)nc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.36
PDE4B Q07343 1/20 0.35
F2 P00734 2/20 0.34
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
PLAT P00750 2/20 0.34
PRSS1 P07477 2/20 0.34
KLK1 P06870 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
CDK1 P06493 1/20 0.34
BRD4 O60885 2/20 0.33
SRC P12931 1/20 0.33
DRD4 P21917 1/20 0.33
ROCK1 Q13464 1/20 0.33
BACE1 P56817 1/20 0.33
SYK P43405 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KLKB1 P03952 1/20 0.32
WDR5 P61964 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL3010260 0.91 PDE4B (0.44) PDE4BCDK1ROCK1
SCHEMBL3529604 0.90 ACP1 (0.36) SYK
SCHEMBL3024391 0.88 MAPKAPK2 (0.46) ROCK2PDE4BMAPKAPK2CDK1BRD4
SCHEMBL3528525 0.88 SIRT2 (0.40) PDE4BMAPKAPK2CDK1SRCSYK
SCHEMBL3014761 0.87 CDK1 (0.34) CDK1SRC
SCHEMBL3529131 0.86 PIM1 (0.40) ROCK2SYK
SCHEMBL3023974 0.85 EGFR (0.38) SRCDRD4
SCHEMBL3006895 0.84 SRC (0.43) MAPKAPK2CDK1SRC
SCHEMBL3023110 0.84 SRC (0.43) MAPKAPK2CDK1SRC
SCHEMBL3018102 0.84 SRC (0.43) MAPKAPK2CDK1SRC

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 ROCK2 180/4885PDE4B 1463/4885F2 1341/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 ROCK2 1231/4885PDE4B 2776/4885F2 3301/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ROCK2 1231/4885PDE4B 2776/4885F2 3301/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ROCK2 275/4885PDE4B 1335/4885F2 2450/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ROCK2 1231/4885PDE4B 2776/4885F2 3301/4885

“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.