SCHEMBL29882121

SCHEMBL29882121

N#Cc1ccc(N2CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.69
PARP2 Q9UGN5 4/20 0.69
HTR1A P08908 11/20 0.57
TNKS O95271 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
PARP3 Q9Y6F1 1/20 0.55
HTR7 P34969 4/20 0.48

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
SCHEMBL23302863 1.00 PARP1 (0.69) PARP1PARP2HTR1ATNKSTNKS2
SCHEMBL29786850 0.88 PARP1 (0.54) PARP1PARP2HTR1ATNKSTNKS2
SCHEMBL29882260 0.88 PARP1 (0.57) PARP1PARP2HTR1A
SCHEMBL23302454 0.88 PARP1 (0.57) PARP1PARP2HTR1A
SCHEMBL23302521 0.88 PARP1 (0.54) PARP1PARP2HTR1ATNKSTNKS2
SCHEMBL23320305 0.87 PARP1 (0.64) PARP1PARP2HTR1AHTR7
SCHEMBL29882308 0.85 DRD2 (0.55) PARP1PARP2HTR1AHTR7
SCHEMBL23303646 0.85 PARP1 (0.51) PARP1PARP2HTR1ATNKSTNKS2
SCHEMBL29786983 0.85 PARP1 (0.51) PARP1PARP2HTR1ATNKSTNKS2
SCHEMBL23302482 0.84 PARP1 (0.50) PARP1PARP2HTR1ATNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929673-A Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for preventing or treating poly (ADP-ribose) polymerase 1(PARP-1) -related diseases comprising the same as active ingredient 多临生物株式会社 2022-08-19 CN claimed
US-12459899-B2 Isoquinolinone derivatives, method for preparing the same, and pharmaceutical composition for preventing or treating poly(ADP-ribose) polymerase-1-related diseases, comprising the same as active ingredient DIGMBIO, Inc. (KR) 2025-11-04 US disclosed
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT DIGMBIO. INC. (KR) 2023-01-26 US disclosed
CN-114929673-A Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for preventing or treating poly (ADP-ribose) polymerase 1(PARP-1) -related diseases comprising the same as active ingredient 多临生物株式会社 2022-08-19 CN 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-12459899-B2 Isoquinolinone derivatives, method for preparing the same, and pharmaceutical composition for preventing or treating poly(ADP-ribose) polymerase-1-related diseases, comprising the same as active ingredient PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885HTR1A 1094/4885
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885HTR1A 1094/4885

“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.