SCHEMBL20565504

SCHEMBL20565504

N#Cc1c(C2(c3ccc(Cl)cc3)CC2)nn2c(=O)c3ccccc3[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ESR1 P03372 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ PSD A5PKW4 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE9A O76083 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.34

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
SCHEMBL20565415 0.89 CA12 (0.38) ADORA3ALDH1A1KDM4EGAAMET
SCHEMBL20564879 0.88 MAPT (0.36) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL20565460 0.87 MIF (0.36) DRD2DRD4DRD3L3MBTL1
SCHEMBL20565117 0.86 FEN1 (0.36) DRD4MEN1KMT2A
SCHEMBL20565498 0.85 PARP1 (0.43) ADORA3ALDH1A1KDM4ERAB9AKDM4D
SCHEMBL20565456 0.83 PLAT (0.36) KDM4EPDE9AGAAHPGD
SCHEMBL20565532 0.83 DDR1 (0.36) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL20564869 0.81 MEN1 (0.41) ADORA3ALDH1A1KDM4EMEN1MAPT
SCHEMBL23635357 0.81 KDM5A (0.42) ALDH1A1HSD17B10KDM4EMEN1MAPT
SCHEMBL23635387 0.81 KDM5A (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A

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 ADORA3 1619/4885ALDH1A1 317/4885HSD17B10 75/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 ADORA3 1619/4885ALDH1A1 317/4885HSD17B10 75/4885

“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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