SCHEMBL20565140

SCHEMBL20565140

COc1ccc2[nH]c3c(C#N)c(-c4ccc(Cl)cc4Cl)nn3c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41

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
SCHEMBL20565646 0.87 KDM4E (0.42) KDM4EDYRK1ACLK4GSK3AGSK3B
SCHEMBL20565458 0.85 AS3MT (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20565459 0.83 MET (0.49) KDM4EDYRK1ACLK4GSK3AGSK3B
SCHEMBL20565509 0.83 HPGD (0.45) KDM4EDYRK1ACLK4GSK3AGSK3B
SCHEMBL23635399 0.83 CNR1 (0.48) KDM4EDYRK1ACLK4GSK3AGSK3B
SCHEMBL20565580 0.82 MAP2 (0.44) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL20565123 0.82 GSK3A (0.41) KDM4EDYRK1ACLK4GSK3AGSK3B
SCHEMBL20565109 0.81 DYRK1A (0.42) KDM4EDYRK1ACLK4GSK3AGSK3B
SCHEMBL20564460 0.81 DYRK1A (0.40) KDM4EDYRK1ACLK4GSK3AGSK3B
SCHEMBL23635292 0.81 NPSR1 (0.42) KDM4EDYRK1ACLK4GSK3AGSK3B

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 KDM4E 3179/4885DYRK1A 4258/4885CLK4 2060/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 KDM4E 3179/4885DYRK1A 4258/4885CLK4 2060/4885

“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.