Sugi Predict

Sugi Predict / Compounds / SCHEMBL3021996

SCHEMBL3021996

SCHEMBL3021996

CCOc1ccc(Nc2c(C3CCC(N)CC3)c(N)nn3c(Cl)cnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MERTK Q12866 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ POLB P06746 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ PDE9A O76083 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL3024426 0.90 MAPKAPK2 (0.44) MAPKAPK2KDM4EMERTKMAPTPOLB
SCHEMBL3528712 0.90 MAPKAPK2 (0.44) MAPKAPK2KDM4EMERTKMAPTPOLB
SCHEMBL3525966 0.89 MAPKAPK2 (0.42) MAPKAPK2KDM4EMERTKMAPTPOLB
SCHEMBL3024920 0.89 MAPKAPK2 (0.42) MAPKAPK2KDM4EMERTKMAPTPOLB
SCHEMBL3023753 0.86 MAPKAPK2 (0.43) MAPKAPK2KDM4ENFKB1MERTKMAPT
SCHEMBL3527569 0.83 MAPKAPK2 (0.46) MAPKAPK2KDM4EMERTKMAPTPOLB
SCHEMBL3006127 0.83 MAPKAPK2 (0.46) MAPKAPK2KDM4EMERTKMAPTPOLB
SCHEMBL3531569 0.81 MAPKAPK2 (0.43) MAPKAPK2KDM4EMERTKMAPTPOLB
SCHEMBL3021787 0.81 MAPKAPK2 (0.43) MAPKAPK2KDM4EMERTKMAPTPOLB
SCHEMBL3022921 0.81 MAPKAPK2 (0.43) MAPKAPK2KDM4EMERTKMAPTPOLB

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 5 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 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 (3 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 25/4885KDM4E 853/4885NFKB1 2348/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 MAPKAPK2 23/4885KDM4E 1137/4885NFKB1 1366/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPKAPK2 24/4885KDM4E 1158/4885NFKB1 1670/4885

“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.