SCHEMBL19957595

SCHEMBL19957595

CN1CCCc2c(I)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.43
PARP1 P09874 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
INMT O95050 2/20 0.33
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL25044260 0.89 KDM4E (0.35) TNKSPARP1TNKS2DRD2ALDH1A1
SCHEMBL8276444 0.81 NOTUM (0.50) TNKSPARP1TNKS2DRD2ALDH1A1
SCHEMBL30100865 0.79 TNKS (0.46) TNKSPARP1TNKS2DRD2ALDH1A1
SCHEMBL28466766 0.79 TNKS (0.46) TNKSPARP1TNKS2DRD2ALDH1A1
SCHEMBL2625794 0.78 NOTUM (0.50) TNKSPARP1TNKS2DRD2ALDH1A1
SCHEMBL26630604 0.78 TNKS (0.43) TNKSPARP1TNKS2DRD2ALDH1A1
SCHEMBL6402604 0.78 TNKS (0.43) TNKSPARP1TNKS2DRD2ALDH1A1
SCHEMBL23601176 0.78 NOTUM (0.50) TNKSPARP1TNKS2DRD2ALDH1A1
SCHEMBL13911374 0.78 BCL2L1 (0.46) TNKSPARP1TNKS2DRD2CNR1
SCHEMBL16019534 0.75 TNKS (0.41) TNKSPARP1TNKS2DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
EP-3498701-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2019-06-19 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP 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-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 TNKS 1159/4885PARP1 2018/4885TNKS2 1832/4885

“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.