Sugi Predict

Sugi Predict / Compounds / SCHEMBL20565649

SCHEMBL20565649

SCHEMBL20565649

NC(=O)c1c(-c2ccc(Cl)cc2Cl)nn2c(=O)c3ccccc3[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CNR1 P21554 5/20 0.40
▸ GUSB P08236 1/20 0.40
▸ BTK Q06187 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PLAT P00750 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MAP2 P11137 2/20 0.37

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
SCHEMBL20564874 0.91 CA9 (0.43) KDM4EMEN1KMT2AMAPK1CNR1
SCHEMBL20565517 0.90 KDM4E (0.46) KDM4EHTTALDH1A1MEN1NPC1
SCHEMBL20564458 0.86 NR4A2 (0.46) KDM4EHTTALDH1A1MEN1MAPT
SCHEMBL20565534 0.85 BTK (0.50) KDM4EHTTALDH1A1MEN1MAPT
SCHEMBL21933153 0.84 ADORA3 (0.47) KDM4EHTTALDH1A1MEN1NPC1
SCHEMBL20565580 0.84 MAP2 (0.44) KDM4EHTTALDH1A1NPC1MAPT
SCHEMBL20565514 0.82 CNR1 (0.46) HTTALDH1A1CNR1BTKLMNA
SCHEMBL20565512 0.82 KDM4E (0.51) KDM4EHTTALDH1A1MEN1NPC1
SCHEMBL20565588 0.80 KDM4E (0.46) KDM4EHTTALDH1A1MEN1NPC1
SCHEMBL20565459 0.79 MET (0.49) KDM4EHTTALDH1A1MEN1NPC1

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 3179/4885HTT 1878/4885ALDH1A1 317/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 KDM4E 3179/4885HTT 1878/4885ALDH1A1 317/4885

“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.