Sugi Predict

Sugi Predict / Compounds / SCHEMBL3020341

SCHEMBL3020341

SCHEMBL3020341

Nc1nn2ccnc2c(Nc2ccccc2Cl)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.40
▸ MAPKAPK2 P49137 3/20 0.40
▸ FLT3 P36888 2/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ IGF1R P08069 4/20 0.35
▸ AURKA O14965 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ NISCH Q9Y2I1 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK3 P52333 2/20 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
SCHEMBL3023893 0.89 CDK2 (0.33) CDK2MAPKAPK2FLT3CCNE1SYK
SCHEMBL3021863 0.87 MAPK8 (0.36) CDK2FLT3CCNE1SYKMAPK8
SCHEMBL3529870 0.87 EGFR (0.39) CDK2FLT3CCNE1IGF1RSYK
SCHEMBL3018103 0.86 CDK2 (0.37) CDK2FLT3CCNE1SYKMAPK8
SCHEMBL3023111 0.86 CDK2 (0.37) CDK2FLT3CCNE1SYKMAPK8
SCHEMBL3006896 0.86 CDK2 (0.37) CDK2FLT3CCNE1SYKMAPK8
SCHEMBL3018988 0.85 PTK2 (0.35) CDK2FLT3CCNE1SYKMAPK8
SCHEMBL3021155 0.85 MAPK8 (0.34) CDK2FLT3CCNE1IGF1RSYK
SCHEMBL3018434 0.85 CDK7 (0.41) FLT3IGF1RIRAK4SYKCDK7
SCHEMBL3012433 0.84 GABRG2 (0.36) CDK2FLT3CCNE1SYKMAPK8

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 14 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
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 — — EP 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
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 — — WO 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 CDK2 50/4885MAPKAPK2 25/4885FLT3 155/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 CDK2 665/4885MAPKAPK2 964/4885FLT3 3630/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CDK2 40/4885MAPKAPK2 23/4885FLT3 345/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CDK2 665/4885MAPKAPK2 964/4885FLT3 3630/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CDK2 67/4885MAPKAPK2 24/4885FLT3 334/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CDK2 665/4885MAPKAPK2 964/4885FLT3 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.