Sugi Predict

Sugi Predict / Compounds / SCHEMBL9009947

SCHEMBL9009947

SCHEMBL9009947

NC(=O)C1(N2CCOCC2)CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.65
▸ PARP1 P09874 12/20 0.59
▸ HTR1A P08908 6/20 0.56
▸ HTR7 P34969 6/20 0.56
▸ PARP2 Q9UGN5 1/20 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
SCHEMBL14129602 0.91 KDM4E (0.79) KDM4EPARP1HTR1AHTR7PARP2
SCHEMBL12946412 0.84 PARP1 (0.67) KDM4EPARP1HTR1AHTR7PARP2
SCHEMBL9009935 0.82 PARP1 (0.65) KDM4EPARP1HTR1AHTR7PARP2
SCHEMBL29831539 0.78 PARP1 (0.66) PARP1HTR1AHTR7PARP2
SCHEMBL6796265 0.78 PARP1 (0.70) PARP1HTR1AHTR7PARP2
SCHEMBL31060680 0.76 PARP1 (1.00) PARP1HTR1AHTR7PARP2
SCHEMBL6795921 0.76 PARP1 (0.70) PARP1HTR1AHTR7PARP2
SCHEMBL9070730 0.73 PARP1 (0.65) PARP1HTR1AHTR7PARP2
SCHEMBL6795915 0.72 PARP1 (0.70) PARP1HTR1AHTR7PARP2
SCHEMBL6795086 0.72 PARP1 (0.87) PARP1HTR1AHTR7PARP2

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-8188103-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-29 — — US disclosed
US-8188103-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-29 — — US disclosed
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS VAN DER AA MARCEL JOZEF MARIA 2011-03-31 — — US disclosed
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS VAN DER AA MARCEL JOZEF MARIA 2011-03-31 — — US disclosed
US-7875621-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-01-25 — — US disclosed
US-7875621-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-01-25 — — US disclosed
US-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer JANSSEN PHARMACEUTICA, NV (BE) 2008-07-24 — — 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-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer PARP1, PARP2, PARP3 KDM4E 3137/4885PARP1 1/4885HTR1A 1036/4885
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 KDM4E 620/4885PARP1 1/4885HTR1A 421/4885

“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.