SCHEMBL3021971

SCHEMBL3021971

Cc1c(NC2CCC(N)CC2)nn2ccnc2c1Nc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
FLT3 P36888 5/20 0.43
CDK2 P24941 3/20 0.43
CCNE1 P24864 2/20 0.43
MAP3K7 O43318 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TAB1 Q15750 1/20 0.42
MAPK8 P45983 1/20 0.42
KIT P10721 2/20 0.41
MAPKAPK2 P49137 3/20 0.40
KDR P35968 4/20 0.39
PDGFRB P09619 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
AURKA O14965 2/20 0.38
PDGFRA P16234 2/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL3021965 1.00 ADORA3 (0.43) ADORA3ADORA1FLT3CDK2CCNE1
SCHEMBL3026215 1.00 ADORA3 (0.43) ADORA3ADORA1FLT3CDK2CCNE1
SCHEMBL3020113 0.92 FLT3 (0.42) FLT3CDK2CCNE1MAPK8KIT
SCHEMBL3020115 0.92 FLT3 (0.42) FLT3CDK2CCNE1MAPK8KIT
SCHEMBL3024265 0.91 MAPK8 (0.48) ADORA3ADORA1FLT3CDK2CCNE1
SCHEMBL3022048 0.88 FLT3 (0.45) ADORA3ADORA1FLT3CDK2CCNE1
SCHEMBL3022042 0.88 FLT3 (0.45) ADORA3ADORA1FLT3CDK2CCNE1
SCHEMBL3015203 0.85 MAPKAPK2 (0.47) FLT3CDK2CCNE1MAPK8MAPKAPK2
SCHEMBL3025258 0.83 CDK2 (0.47) FLT3CDK2CCNE1MAPK8MAPKAPK2
SCHEMBL3025252 0.83 CDK2 (0.47) FLT3CDK2CCNE1MAPK8MAPKAPK2

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 12 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
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 ADORA3 1451/4885ADORA1 2504/4885FLT3 155/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 ADORA3 2588/4885ADORA1 3466/4885FLT3 3630/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 ADORA3 2609/4885ADORA1 2994/4885FLT3 345/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ADORA3 2588/4885ADORA1 3466/4885FLT3 3630/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ADORA3 1424/4885ADORA1 2883/4885FLT3 334/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ADORA3 2588/4885ADORA1 3466/4885FLT3 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.