SCHEMBL20565113

SCHEMBL20565113

COc1ccc2c(c1)c(=O)[nH]c1c(C#N)c(C3(c4ccc(Cl)cc4)CC3)nn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ PTGS2 P35354 4/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.34
▸ PTGS1 P23219 4/20 0.34
▸ AKR1C3 P42330 4/20 0.34
▸ AKR1C2 P52895 3/20 0.34
▸ AKR1C4 P17516 1/20 0.33
▸ MYLK Q15746 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL22000871 0.88 KDM4D (0.37) KDM4EMALT1KDM4DPARP1
SCHEMBL20564466 0.87 PLAT (0.34) KDM4DPARP1
SCHEMBL20565540 0.86 KDM4D (0.33) KDM4DPARP1
SCHEMBL20565498 0.84 PARP1 (0.43) KDM4EKDM4DPARP1ADORA3
SCHEMBL20564881 0.84 BIRC5 (0.37) KDM4EKDM4DPARP1
SCHEMBL20565646 0.77 KDM4E (0.42) KDM4EPTGS2PLA2G2AMALT1PARP1
SCHEMBL20565415 0.76 CA12 (0.38) KDM4EADORA3
SCHEMBL20565504 0.74 ADORA3 (0.37) KDM4EKDM4DDRD2DRD3ADORA3
SCHEMBL23635284 0.74 HSD11B1 (0.34) KDM4EDRD2DRD3
SCHEMBL20565460 0.74 MIF (0.36) DRD2DRD3

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 3179/4885PTGS2 3516/4885PLA2G2A 2193/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 KDM4E 3179/4885PTGS2 3516/4885PLA2G2A 2193/4885

“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.

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