Sugi Predict

Sugi Predict / Compounds / SCHEMBL728531

SCHEMBL728531

SCHEMBL728531

Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnccn3)c3ncnc(N)c23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 4/20 0.77
▸ RET P07949 8/20 0.55
▸ KDR P35968 8/20 0.55
▸ EGFR P00533 5/20 0.55
▸ BTK Q06187 5/20 0.55
▸ SRC P12931 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ ABL1 P00519 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ LCK P06239 2/20 0.55
▸ FYN P06241 2/20 0.55
▸ YES1 P07947 2/20 0.55
▸ LYN P07948 2/20 0.55
▸ PDGFRA P16234 2/20 0.55
▸ PRKACA P17612 2/20 0.55
▸ FRK P42685 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ MAPK9 P45984 2/20 0.55
▸ CSNK1A1 P48729 2/20 0.55

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
SCHEMBL726721 0.89 RIPK2 (0.77) RIPK2RETKDREGFRBTK
SCHEMBL728150 0.89 RIPK2 (0.77) RIPK2RETKDREGFRBTK
SCHEMBL728367 0.89 RIPK2 (0.82) RIPK2RETKDREGFRBTK
SCHEMBL726762 0.88 RIPK2 (0.75) RIPK2RETKDREGFRBTK
SCHEMBL29429963 0.87 RIPK2 (1.00) RIPK2RETKDREGFRBTK
SCHEMBL10098386 0.87 RIPK2 (1.00) RIPK2RETKDREGFRBTK
SCHEMBL726788 0.87 RIPK2 (0.82) RIPK2RETKDREGFRBTK
SCHEMBL727138 0.86 RIPK2 (0.84) RIPK2RETKDREGFRBTK
SCHEMBL726858 0.86 RIPK2 (0.72) RIPK2RETKDREGFRBTK
SCHEMBL726638 0.86 RIPK2 (0.72) RIPK2RETKDREGFRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590982-B1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INST OF MEDICAL RES (AU) 2017-08-23 — — EP disclosed
US-8962830-B2 Protein kinase inhibitors and methods of treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-24 — — US disclosed
US-8962830-B2 Protein kinase inhibitors and methods of treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-24 — — US disclosed
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-18 — — US disclosed
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-18 — — US disclosed
WO-2012003544-A1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-12 — — WO 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 (1 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-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment PRKDC, PRKACA, PRKX RIPK2 634/4885RET 410/4885KDR 1720/4885

“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.