SCHEMBL23320595

SCHEMBL23320595

O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CC=C(c2ccc(F)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.49
▸ PARP2 Q9UGN5 2/20 0.49
▸ CDK9 P50750 4/20 0.40
▸ CCNT1 O60563 3/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DGAT1 O75907 1/20 0.37
▸ KHK P50053 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 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
SCHEMBL29882315 1.00 PARP1 (0.49) PARP1PARP2CDK9CCNT1NAMPT
SCHEMBL23302775 0.90 PARP1 (0.46) PARP1PARP2CDK9CCNT1NAMPT
SCHEMBL29882348 0.88 PARP1 (0.47) PARP1PARP2CDK9CCNT1MEN1
SCHEMBL23302459 0.88 PARP1 (0.47) PARP1PARP2CDK9CCNT1MEN1
SCHEMBL23303546 0.88 PARP1 (0.50) PARP1PARP2CDK9CCNT1NAMPT
SCHEMBL29882275 0.88 PARP1 (0.50) PARP1PARP2CDK9CCNT1NAMPT
SCHEMBL23302516 0.86 PARP1 (0.46) PARP1PARP2CDK9CCNT1NAMPT
SCHEMBL23302519 0.85 PARP1 (0.56) PARP1PARP2CDK9CCNT1NAMPT
SCHEMBL23302809 0.85 PARP1 (0.48) PARP1PARP2CDK9CCNT1NAMPT
SCHEMBL29787014 0.85 PARP1 (0.56) PARP1PARP2CDK9CCNT1NAMPT

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-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
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 2/4885CDK9 537/4885

“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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