Sugi Predict

Sugi Predict / Compounds / SCHEMBL20564460

SCHEMBL20564460

SCHEMBL20564460

COc1cccc2[nH]c3c(C#N)c(-c4ccc(Cl)cc4Cl)nn3c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ MET P08581 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ SRC P12931 1/20 0.37

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
SCHEMBL20565109 0.87 DYRK1A (0.42) DYRK1ACLK4GSK3AGSK3BKDM4E
SCHEMBL20564861 0.86 CNR1 (0.43) HPGDUSP2POLBALOX12HSD17B10
SCHEMBL20565459 0.82 MET (0.49) DYRK1ACLK4GSK3AGSK3BKDM4E
SCHEMBL20565140 0.81 KDM4E (0.42) DYRK1ACLK4GSK3AGSK3BKDM4E
SCHEMBL20565509 0.80 HPGD (0.45) DYRK1ACLK4GSK3AGSK3BKDM4E
SCHEMBL20565123 0.78 GSK3A (0.41) DYRK1ACLK4GSK3AGSK3BKDM4E
SCHEMBL23635292 0.75 NPSR1 (0.42) DYRK1ACLK4GSK3AGSK3BKDM4E
SCHEMBL20565646 0.74 KDM4E (0.42) DYRK1ACLK4GSK3AGSK3BKDM4E
SCHEMBL23635399 0.74 CNR1 (0.48) DYRK1ACLK4GSK3AGSK3BKDM4E
SCHEMBL23635358 0.73 HPGD (0.41) KDM4EHPGDUSP2POLBALOX12

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
US-11192893-B2 Pyrazoloquinazolinone antitumor agents THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 — — US disclosed
US-11192893-B2 Pyrazoloquinazolinone antitumor agents THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 — — US disclosed
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS THE ROCKEFELLER UNIVERSITY (US) 2020-05-14 — — US disclosed
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS THE ROCKEFELLER UNIVERSITY (US) 2020-05-14 — — US disclosed
EP-3624805-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS Kapoor, Tarun, M. (US) 2020-03-25 — — EP disclosed
WO-2018213712-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS KAPOOR TARUN M (US) 2018-11-22 — — 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 (2 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-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 DYRK1A 4258/4885CLK4 2060/4885GSK3A 4758/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 DYRK1A 4258/4885CLK4 2060/4885GSK3A 4758/4885

“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.