SCHEMBL20565565

SCHEMBL20565565

N#Cc1c(N2CCC(c3ccc(Cl)cc3)CC2)nn2c(=O)c3cc(Cl)ccc3[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.45
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ NR3C1 P04150 2/20 0.35
▸ MAT2A P31153 3/20 0.35
▸ BIRC5 O15392 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 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
SCHEMBL20565130 0.85 GRM2 (0.38) GRM2CA12CA9KCNH2MCHR1
SCHEMBL20564852 0.82 LMNA (0.42) GRM2CA12CA9KCNH2MCHR1
SCHEMBL23635380 0.82 GRM2 (0.44) GRM2NR3C1BIRC5KDM4ENPC1
SCHEMBL20565526 0.81 GRM2 (0.38) GRM2CA12CA9KCNH2MCHR1
SCHEMBL23635317 0.80 GRM2 (0.43) GRM2KCNH2KDM4EMEN1ALDH1A1
SCHEMBL22001264 0.80 TLR8 (0.35) GRM2CA12CA9NR3C1MAT2A
SCHEMBL20565522 0.78 PLAT (0.36) GRM2BIRC5MEN1ALDH1A1LMNA
SCHEMBL20565589 0.76 ARF6 (0.36) GRM2BIRC5CCNCCDK8PARP1
SCHEMBL23635345 0.76 DDR1 (0.38) GRM2KDM4EMEN1KMT2ACCNC
SCHEMBL20565527 0.76 ARF6 (0.38) GRM2KCNH2BIRC5KDM4EMEN1

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 7 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
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
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 GRM2 4780/4885CA12 2784/4885CA9 1024/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 GRM2 4780/4885CA12 2784/4885CA9 1024/4885

“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.

Send feedback