SCHEMBL20955537

SCHEMBL20955537

COC(=O)CN1CCCc2c1nc(Cl)[nH]c2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 9/20 0.34
▸ PARP1 P09874 9/20 0.34
▸ TNKS2 Q9H2K2 9/20 0.34
▸ BRD4 O60885 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ SPR P35270 1/20 0.31

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
SCHEMBL20954967 0.80 POLB (0.40) TNKSPARP1TNKS2HPGD
SCHEMBL20954788 0.73 TNKS (0.51) TNKSPARP1TNKS2
SCHEMBL20955731 0.70 TNKS (0.43) TNKSPARP1TNKS2
SCHEMBL3392318 0.69 TSHR (0.59) ALDH1A1TSHR
SCHEMBL5158837 0.65 TSHR (0.53) TSHR
SCHEMBL7979583 0.65 TSHR (0.53) ALDH1A1TSHR
SCHEMBL20535096 0.64 SMN1; SMN2 (0.44) KDM4EALDH1A1MAPTHPGDKAT2B
SCHEMBL9823072 0.62 TSHR (0.44) BRD4KDM4EALDH1A1HPGDTSHR
SCHEMBL10953195 0.61 MMP1 (0.37) KDM4ETSHRNPSR1HSD17B10
SCHEMBL24534990 0.60 PIK3CD (0.51) KDM4ETSHR

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
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 — — US disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 — — US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 — — EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 — — US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 — — US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 — — 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 (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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 TNKS 3604/4885PARP1 1705/4885TNKS2 3815/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 TNKS 3690/4885PARP1 1906/4885TNKS2 3829/4885

“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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