SCHEMBL20564864

SCHEMBL20564864

N#Cc1c(C2CCC(c3ccc(Cl)cc3)CC2)n[nH]c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ PRKACB P22694 1/20 0.35
▸ CHIT1 Q13231 2/20 0.35
▸ CHIA Q9BZP6 2/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ GFER P55789 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 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
SCHEMBL31278318 0.84 PRKACA (0.46) ALDH1A1NPSR1HSD17B10GAAMAPT
SCHEMBL23630311 0.82 ALDH1A1 (0.43) ALDH1A1NPSR1HSD17B10GRM2GAA
SCHEMBL23635325 0.81 HTR3A (0.40) GAAMAPTHTR3ACHIT1CHIA
SCHEMBL23630313 0.80 PRKACA (0.57) ALDH1A1NPSR1L3MBTL1HSD17B10GRM2
SCHEMBL29711491 0.79 PRKACA (0.34) ALDH1A1NPSR1GAAMAPTPRKACA
SCHEMBL21877759 0.73 PRKACA (0.38) ALDH1A1HSD17B10GAAPRKACAPRKACG
SCHEMBL21877758 0.73 PRKACA (0.38) ALDH1A1HSD17B10GAAPRKACAPRKACG
SCHEMBL15020704 0.71 IKBKB (0.45) NPSR1GAAMAPTLMNAMAPK1
SCHEMBL17447898 0.70 PIK3CD (0.45) ALDH1A1NPSR1HSD17B10MAPTPRKACA
SCHEMBL17447896 0.70 PIK3CD (0.45) ALDH1A1NPSR1HSD17B10MAPTPRKACA

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 5 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
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO 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 ALDH1A1 317/4885NPSR1 3150/4885L3MBTL1 661/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 ALDH1A1 317/4885NPSR1 3150/4885L3MBTL1 661/4885

“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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