SCHEMBL3021787

SCHEMBL3021787

CCOc1ccc(Nc2c3nccn3nc(N)c2[C@H]2CC[C@@H](N)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.43
TNK2 Q07912 1/20 0.36
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
RAD52 P43351 1/20 0.35
FLT3 P36888 3/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
SLC2A1 P11166 1/20 0.35
MERTK Q12866 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL3531569 1.00 MAPKAPK2 (0.43) MAPKAPK2TNK2MAPTKMT2ANPSR1
SCHEMBL3022921 1.00 MAPKAPK2 (0.43) MAPKAPK2TNK2MAPTKMT2ANPSR1
SCHEMBL3532787 0.95 MAPKAPK2 (0.40) MAPKAPK2TNK2MAPTKMT2ANPSR1
SCHEMBL3018417 0.92 MAPKAPK2 (0.36) MAPKAPK2FLT3CCNE1CDK2SYK
SCHEMBL3022446 0.92 MAPKAPK2 (0.36) MAPKAPK2MAPTFLT3CCNE1CDK2
SCHEMBL3023057 0.90 ZAP70 (0.37) MAPKAPK2TNK2L3MBTL1POLBFLT3
SCHEMBL3024394 0.89 MAPKAPK2 (0.44) MAPKAPK2KMT2AFLT3CCNE1CDK2
SCHEMBL3017602 0.88 CCNE1 (0.36) MAPKAPK2FLT3CCNE1CDK2SYK
SCHEMBL3529608 0.87 CCNE1 (0.35) MAPKAPK2MAPTKMT2AFLT3CCNE1
SCHEMBL3027064 0.87 MAPKAPK2 (0.43) MAPKAPK2MAPTFLT3MERTKRAB9A

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 11 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-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
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP 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
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 (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 MAPKAPK2 25/4885TNK2 158/4885MAPT 3377/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 MAPKAPK2 964/4885TNK2 138/4885MAPT 3192/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 MAPKAPK2 23/4885TNK2 73/4885MAPT 3471/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 MAPKAPK2 964/4885TNK2 138/4885MAPT 3192/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPKAPK2 24/4885TNK2 159/4885MAPT 3886/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 MAPKAPK2 964/4885TNK2 138/4885MAPT 3192/4885

“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.