SCHEMBL20998623

SCHEMBL20998623

O=c1[nH]cnc2ccccccccc12

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.96
PDPK1 O15530 1/20 0.96
CA12 O43570 1/20 0.96
ALOX15 P16050 1/20 0.96
SMN1; SMN2 Q16637 1/20 0.96
CA9 Q16790 1/20 0.96
TNKS2 Q9H2K2 1/20 0.96
IP6K1 Q92551 6/20 0.58
IP6K3 Q96PC2 3/20 0.58
IP6K2 Q9UHH9 3/20 0.58
ACVR1 Q04771 3/20 0.58
KDM4A O75164 1/20 0.56
KDM4B O94953 1/20 0.56
KDM5C P41229 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
KDM5B Q9UGL1 1/20 0.56
KDM3A Q9Y4C1 1/20 0.56
PIM1 P11309 3/20 0.55
CHEK1 O14757 2/20 0.55
RPS6KA3 P51812 2/20 0.55

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
Quinazolinone SCHEMBL88525 0.98 PARP1 (1.00) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL22442340 0.96 PARP1 (0.96) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL29603643 0.96 PARP1 (0.96) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL8201420 0.96 PARP1 (0.96) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL30408864 0.96 PARP1 (0.96) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL29800668 0.91 PARP1 (0.79) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL9541428 0.89 PARP1 (0.82) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL15691341 0.89 PARP1 (0.82) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL31483770 0.87 PARP1 (0.72) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL30077212 0.82 PARP1 (0.72) PARP1PDPK1CA12ALOX15SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046681-B2 Substituted piperidines for the treatment of cancer LES LABORATOIRES SERVIER (FR) 2021-06-29 US disclosed
US-20190144448-A1 PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VERNALIS (R&D) LTD (GB) 2019-05-16 US 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-20190144448-A1 PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CASP3 PARP1 34/4885PDPK1 169/4885CA12 4880/4885
US-11046681-B2 Substituted piperidines for the treatment of cancer BCL2, MCL1, BCL2A1 PARP1 26/4885PDPK1 833/4885CA12 4735/4885

“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.