SCHEMBL3532087

SCHEMBL3532087

Nc1nn2ccnc2c(Nc2ccc(Cc3ccccc3)cc2)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.37
TDO2 P48775 1/20 0.36
FLT3 P36888 3/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MERTK Q12866 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
LTA4H P09960 3/20 0.32
SYK P43405 2/20 0.32
MAPK8 P45983 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
MAP2K1 Q02750 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL3525593 0.92 SYK (0.34) TNK2FLT3CCNE1CDK2MERTK
SCHEMBL3023111 0.91 CDK2 (0.37) TNK2FLT3CCNE1CDK2JAK2
SCHEMBL3006896 0.91 CDK2 (0.37) TNK2FLT3CCNE1CDK2JAK2
SCHEMBL3018103 0.91 CDK2 (0.37) TNK2FLT3CCNE1CDK2JAK2
SCHEMBL3021459 0.89 TNK2 (0.38) TNK2FLT3CCNE1CDK2MERTK
SCHEMBL3013560 0.89 TNK2 (0.38) TNK2FLT3CCNE1CDK2MERTK
SCHEMBL3527867 0.89 CCNE1 (0.37) FLT3CCNE1CDK2SYK
SCHEMBL3027064 0.89 MAPKAPK2 (0.43) FLT3MERTKMAPKAPK2EGFRERBB2
SCHEMBL3017602 0.88 CCNE1 (0.36) FLT3CCNE1CDK2SYKMAPKAPK2
SCHEMBL3011164 0.87 CCNE1 (0.39) TNK2FLT3CCNE1CDK2MAPK8

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 7 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

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 TNK2 158/4885TDO2 3618/4885FLT3 155/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 TNK2 138/4885TDO2 326/4885FLT3 3630/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TNK2 138/4885TDO2 326/4885FLT3 3630/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 TNK2 159/4885TDO2 3750/4885FLT3 334/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TNK2 138/4885TDO2 326/4885FLT3 3630/4885

“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.