Sugi Predict

Sugi Predict / Compounds / SCHEMBL3018529

SCHEMBL3018529

SCHEMBL3018529

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ JAK2 O60674 8/20 0.35
▸ JAK3 P52333 7/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PTK2 Q05397 2/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ ATR Q13535 3/20 0.32
▸ MAPT P10636 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ KCNQ3 O43525 1/20 0.30
▸ KCNQ2 O43526 1/20 0.30

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
SCHEMBL3011164 0.91 CCNE1 (0.39) FLT3CCNE1CDK2
SCHEMBL3021677 0.89 CCNE1 (0.38) FLT3CCNE1CDK2RIPK2MAPT
SCHEMBL3012714 0.89 CCNE1 (0.38) FLT3CCNE1CDK2RIPK2MAPT
SCHEMBL3026217 0.89 CCNE1 (0.38) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL3014102 0.89 SYK (0.35) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL3018103 0.89 CDK2 (0.37) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL3023111 0.89 CDK2 (0.37) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL3006896 0.89 CDK2 (0.37) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL3017588 0.89 JAK2 (0.36) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL3021744 0.89 CDK2 (0.36) FLT3CCNE1CDK2IDO1TDO2

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

“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.