Sugi Predict

Sugi Predict / Compounds / SCHEMBL3025244

SCHEMBL3025244

SCHEMBL3025244

Cc1ccc(Nc2c3nccn3nc(N)c2[C@H]2CC[C@H](N)CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 2/20 0.36
▸ TDO2 P48775 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK10 P53779 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SRC P12931 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PRKDC P78527 2/20 0.32
▸ MTOR P42345 1/20 0.32
▸ RIPK2 O43353 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ SIK1 P57059 1/20 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
SCHEMBL3023453 0.94 RAPGEF4 (0.39) RAPGEF4FLT3CCNE1CDK2NPC1
SCHEMBL3023317 0.91 FLT3 (0.39) FLT3CCNE1CDK2MAPK10SRC
SCHEMBL3529870 0.90 EGFR (0.39) FLT3CCNE1CDK2MAPK10RIPK2
SCHEMBL3019758 0.89 FLT3 (0.36) FLT3CCNE1CDK2SRCRIPK2
SCHEMBL3021677 0.86 CCNE1 (0.38) RAPGEF4TDO2FLT3CCNE1CDK2
SCHEMBL3012714 0.86 CCNE1 (0.38) RAPGEF4TDO2FLT3CCNE1CDK2
SCHEMBL3022061 0.86 KARS1 (0.38) DPP4FLT3CCNE1CDK2ALDH1A1
SCHEMBL3019918 0.86 KARS1 (0.38) DPP4FLT3CCNE1CDK2ALDH1A1
SCHEMBL3024509 0.86 RAPGEF4 (0.37) RAPGEF4TDO2FLT3CCNE1CDK2
SCHEMBL3023975 0.85 EGFR (0.40) RAPGEF4FLT3CCNE1CDK2NPC1

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 RAPGEF4 884/4885TDO2 3618/4885DPP4 3799/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 RAPGEF4 3765/4885TDO2 326/4885DPP4 4373/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 RAPGEF4 690/4885TDO2 3885/4885DPP4 4226/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 RAPGEF4 3765/4885TDO2 326/4885DPP4 4373/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 RAPGEF4 876/4885TDO2 3750/4885DPP4 4259/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 RAPGEF4 3765/4885TDO2 326/4885DPP4 4373/4885

“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.