SCHEMBL20564871

SCHEMBL20564871

C#Cc1ccc2[nH]c3c(C#N)c(C4CCN(C(=O)O)CC4)nn3c(=O)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARF6 P62330 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ MAPK7 Q13164 1/20 0.32
▸ GABRA1 P14867 2/20 0.31
▸ GABRG2 P18507 2/20 0.31
▸ GABRB3 P28472 2/20 0.31
▸ GABRA5 P31644 2/20 0.31
▸ GABRA3 P34903 2/20 0.31
▸ GABRA2 P47869 2/20 0.31
▸ GABRA4 P48169 2/20 0.31
▸ GABRA6 Q16445 2/20 0.31
▸ FASN P49327 10/20 0.31
▸ PLAT P00750 2/20 0.31
▸ SCD5 Q86SK9 1/20 0.31
▸ ACACB O00763 1/20 0.30
▸ ACACA Q13085 1/20 0.30
▸ TNKS O95271 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL20564868 0.87 GPR119 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22000870 0.87 PLAT (0.43) ARF6GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL20564456 0.86 PLAT (0.42) ARF6GABRA1GABRG2GABRB3GABRA5
SCHEMBL20565589 0.84 ARF6 (0.36) ARF6FASNPLATPARP1
SCHEMBL20564469 0.83 MAPK7 (0.36) MAPK7FASN
SCHEMBL22000438 0.82 MAPK7 (0.37) MAPK7FASN
SCHEMBL20565501 0.79 MCHR1 (0.35) —
SCHEMBL20564852 0.76 LMNA (0.42) —
SCHEMBL20565130 0.74 GRM2 (0.38) ARF6PLAT
SCHEMBL20565526 0.74 GRM2 (0.38) ARF6PLAT

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 4 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-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 ARF6 997/4885IDO1 2239/4885TDO2 2143/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 ARF6 997/4885IDO1 2239/4885TDO2 2143/4885

“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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