SCHEMBL25004045

SCHEMBL25004045

Cc1[nH]c(=O)c2ccccc2c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 12/20 0.47
▸ TNKS2 Q9H2K2 5/20 0.44
▸ TNKS O95271 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ PARP15 Q460N3 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GPR3 P46089 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ SERPINE1 P05121 1/20 0.38
▸ PGR P06401 1/20 0.38

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
SCHEMBL1721084 0.85 PARP1 (0.45) PARP1TNKS2TNKSKDM4EALDH1A1
SCHEMBL14214508 0.76 AHR (0.57) TNKS2KDM4EALDH1A1MEN1CYP1A2
SCHEMBL917825 0.72 SERPINE1 (0.58) PARP1TNKS2TNKSKDM4EALDH1A1
SCHEMBL29914921 0.72 PARP1 (0.47) PARP1TNKS2TNKSKDM4EALDH1A1
SCHEMBL2673475 0.72 PARP1 (0.47) PARP1TNKS2TNKSKDM4EALDH1A1
SCHEMBL29914858 0.72 MEN1 (0.47) PARP1TNKS2TNKSKDM4EALDH1A1
SCHEMBL30849704 0.71 CYP1A2 (0.40) KDM4EALDH1A1CYP1A2GPR3HSD17B10
SCHEMBL14506244 0.69 KDM4E (0.53) PARP1TNKS2TNKSKDM4EALDH1A1
SCHEMBL3081936 0.69 PARP1 (0.71) PARP1TNKS2TNKSKDM4EALDH1A1
SCHEMBL29330336 0.69 ATM (0.31) KDM4E

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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 — — US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 — — 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF PARP1 1928/4885TNKS2 2975/4885TNKS 2016/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY PARP1 2296/4885TNKS2 3989/4885TNKS 3461/4885

“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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