Sugi Predict

Sugi Predict / Compounds / SCHEMBL9004566

SCHEMBL9004566

SCHEMBL9004566

CCOc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nn3ccnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.52
▸ SYK P43405 1/20 0.48
▸ CDK1 P06493 2/20 0.47
▸ PDGFRA P16234 10/20 0.45
▸ CCNE1 P24864 9/20 0.45
▸ CDK2 P24941 9/20 0.45
▸ FLT3 P36888 3/20 0.43

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
SCHEMBL15425297 1.00 MAPKAPK2 (0.52) MAPKAPK2SYKCDK1PDGFRACCNE1
SCHEMBL19290237 0.91 SYK (0.46) MAPKAPK2SYKCDK1PDGFRACDK2
SCHEMBL13213485 0.83 MAPKAPK2 (0.58) MAPKAPK2SYKCDK1PDGFRACCNE1
SCHEMBL13213670 0.83 MAPKAPK2 (0.58) MAPKAPK2SYKCDK1PDGFRACCNE1
SCHEMBL13213636 0.83 MAPKAPK2 (0.52) MAPKAPK2SYKCDK1PDGFRACCNE1
SCHEMBL3011533 0.82 MAPKAPK2 (0.51) MAPKAPK2SYKCDK1PDGFRACCNE1
SCHEMBL12012863 0.81 CCNE1 (0.64) MAPKAPK2CCNE1CDK2FLT3
SCHEMBL13213696 0.80 MAPKAPK2 (0.49) MAPKAPK2SYKPDGFRACCNE1CDK2
SCHEMBL5458629 0.78 MAPKAPK2 (0.43) MAPKAPK2SYKCCNE1CDK2FLT3
SCHEMBL19290238 0.78 MAPT (0.48) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556178-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 — — US disclosed
US-9556178-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 — — US disclosed
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-21 — — US disclosed
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-21 — — US disclosed
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-05 — — US disclosed
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-05 — — US disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 — — US disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 — — US disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — 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-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 — — US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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
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 MAPKAPK2 25/4885SYK 605/4885CDK1 86/4885
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 MAPKAPK2 210/4885SYK 4/4885CDK1 82/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 MAPKAPK2 23/4885SYK 781/4885CDK1 63/4885
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 MAPKAPK2 27/4885SYK 612/4885CDK1 55/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPKAPK2 24/4885SYK 701/4885CDK1 105/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 MAPKAPK2 27/4885SYK 612/4885CDK1 55/4885

“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.