SCHEMBL22473936

SCHEMBL22473936

Cc1nc(C2CC2)cn1-c1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.50
PARP1 P09874 6/20 0.50
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
MAPKAPK2 P49137 2/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PARP11 Q9NR21 4/20 0.41
PDPK1 O15530 1/20 0.38
MAPK1 P28482 2/20 0.38
CDC7 O00311 3/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL23865256 0.76 MAP3K5 (0.46) PARP10PARP1F7F3MAPKAPK2
SCHEMBL30935025 0.76 PARP10 (0.52) PARP10PARP1MAPKAPK2PARP11PDPK1
SCHEMBL30935221 0.68 PARP10 (0.43) PARP10PARP1MAPKAPK2PARP11HSP90AA1
SCHEMBL2619126 0.68 PARP10 (1.00) PARP10PARP1F7F3PARP11
SCHEMBL31585995 0.68 PARP10 (1.00) PARP10PARP1F7F3PARP11
SCHEMBL20489212 0.68 MAP3K5 (0.49) PARP10PARP1PARP11KDM4E
SCHEMBL29978642 0.68 MAP3K5 (0.49) PARP10PARP1PARP11KDM4E
SCHEMBL22473990 0.68 PDE3B (0.51) PARP10PARP1F7F3MAPKAPK2
SCHEMBL21706202 0.68 MAP3K5 (0.35) PARP10PARP1MAPK1
SCHEMBL7237286 0.67 PARP10 (0.54) PARP10PARP1F7F3PARP11

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
EP-3572401-B1 ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-09-29 EP disclosed
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 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 (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-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 PARP10 1849/4885PARP1 1865/4885F7 4552/4885

“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.