SCHEMBL23302825

SCHEMBL23302825

O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC=C(c2ccnc(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.53
▸ PARP2 Q9UGN5 1/20 0.53
▸ CCNT1 O60563 14/20 0.40
▸ CDK9 P50750 14/20 0.40
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL29882174 1.00 PARP1 (0.53) PARP1PARP2CCNT1CDK9MAPK1
SCHEMBL23302805 0.89 PARP1 (0.62) PARP1PARP2MAPK1
SCHEMBL29882629 0.89 PARP1 (0.62) PARP1PARP2MAPK1
SCHEMBL29787014 0.89 PARP1 (0.56) PARP1PARP2CCNT1CDK9MAPK1
SCHEMBL23302519 0.89 PARP1 (0.56) PARP1PARP2CCNT1CDK9MAPK1
SCHEMBL23303585 0.88 PARP1 (0.56) PARP1PARP2MAPK1
SCHEMBL29882230 0.88 PARP1 (0.56) PARP1PARP2MAPK1
SCHEMBL23302711 0.87 PARP1 (0.48) PARP1PARP2CCNT1CDK9MAPK1
SCHEMBL29882353 0.87 PARP1 (0.48) PARP1PARP2CCNT1CDK9MAPK1
SCHEMBL23302584 0.86 PARP1 (0.51) PARP1PARP2CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021086077-A1 ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE 충남대학교 산학협력단 2021-05-06 — — WO claimed
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
WO-2021086077-A1 ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE 충남대학교 산학협력단 2021-05-06 — — WO disclosed
WO-2021086077-A1 ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE 충남대학교 산학협력단 2021-05-06 — — 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 (1 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-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 2/4885CCNT1 1628/4885

“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.

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