Sugi Predict

Sugi Predict / Compounds / SCHEMBL3021799

SCHEMBL3021799

SCHEMBL3021799

CC(C)c1c(N[C@H]2CC[C@H](N)CC2)nn2ccnc2c1Nc1ccc(C(=O)Nc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.40
▸ KIT P10721 2/20 0.40
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ TTK P33981 1/20 0.39
▸ MAPK8 P45983 5/20 0.38
▸ BTK Q06187 1/20 0.38
▸ MAST3 O60307 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ PDGFRA P16234 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ SYK P43405 2/20 0.36

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
SCHEMBL3021801 1.00 FLT3 (0.40) FLT3KITCCNE1CDK2TTK
SCHEMBL3020115 0.90 FLT3 (0.42) FLT3KITCCNE1CDK2TTK
SCHEMBL3020113 0.90 FLT3 (0.42) FLT3KITCCNE1CDK2TTK
SCHEMBL3006286 0.84 CDK2 (0.45) FLT3KITCCNE1CDK2MAPK8
SCHEMBL3006282 0.84 CDK2 (0.45) FLT3KITCCNE1CDK2MAPK8
SCHEMBL3026003 0.82 CCNE1 (0.48) FLT3CCNE1CDK2MAPK8PDGFRA
SCHEMBL3025994 0.82 CCNE1 (0.48) FLT3CCNE1CDK2MAPK8PDGFRA
SCHEMBL3021971 0.82 ADORA3 (0.43) FLT3KITCCNE1CDK2MAPK8
SCHEMBL3021965 0.82 ADORA3 (0.43) FLT3KITCCNE1CDK2MAPK8
SCHEMBL3026215 0.82 ADORA3 (0.43) FLT3KITCCNE1CDK2MAPK8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 FLT3 3630/4885KIT 3834/4885CCNE1 1270/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 FLT3 345/4885KIT 1567/4885CCNE1 468/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FLT3 3630/4885KIT 3834/4885CCNE1 1270/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 FLT3 334/4885KIT 1525/4885CCNE1 538/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FLT3 3630/4885KIT 3834/4885CCNE1 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.