SCHEMBL3022048

SCHEMBL3022048

Cc1c(NC2CCC(N)CC2)nn2ccnc2c1Nc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.45
CDK2 P24941 3/20 0.45
CCNE1 P24864 1/20 0.45
MAPKAPK2 P49137 3/20 0.44
MAPK8 P45983 5/20 0.41
KIT P10721 5/20 0.41
AURKA O14965 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41
CDK1 P06493 1/20 0.41
IGF1R P08069 1/20 0.41
EPHA1 P21709 1/20 0.41
BMX P51813 1/20 0.41
JAK3 P52333 1/20 0.41
CDK6 Q00534 1/20 0.41
PAK1 Q13153 1/20 0.41
ALK Q9UM73 1/20 0.41
PDGFRA P16234 1/20 0.40
MERTK Q12866 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL3022042 1.00 FLT3 (0.45) FLT3CDK2CCNE1MAPKAPK2MAPK8
SCHEMBL3020113 0.89 FLT3 (0.42) FLT3CDK2CCNE1MAPKAPK2MAPK8
SCHEMBL3020115 0.89 FLT3 (0.42) FLT3CDK2CCNE1MAPKAPK2MAPK8
SCHEMBL3010958 0.88 SYK (0.47) FLT3CDK2CCNE1MAPKAPK2KIT
SCHEMBL3010959 0.88 SYK (0.47) FLT3CDK2CCNE1MAPKAPK2KIT
SCHEMBL3024265 0.88 MAPK8 (0.48) FLT3CDK2CCNE1MAPKAPK2MAPK8
SCHEMBL3021965 0.88 ADORA3 (0.43) FLT3CDK2CCNE1MAPKAPK2MAPK8
SCHEMBL3026215 0.88 ADORA3 (0.43) FLT3CDK2CCNE1MAPKAPK2MAPK8
SCHEMBL3021971 0.88 ADORA3 (0.43) FLT3CDK2CCNE1MAPKAPK2MAPK8
SCHEMBL3018019 0.87 FLT3 (0.47) FLT3CDK2CCNE1MAPKAPK2KIT

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 FLT3 155/4885CDK2 50/4885CCNE1 598/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 FLT3 3630/4885CDK2 665/4885CCNE1 1270/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 FLT3 345/4885CDK2 40/4885CCNE1 468/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FLT3 3630/4885CDK2 665/4885CCNE1 1270/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 FLT3 334/4885CDK2 67/4885CCNE1 538/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FLT3 3630/4885CDK2 665/4885CCNE1 1270/4885

“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.