SCHEMBL19805954

SCHEMBL19805954

CCc1ccc2c(c1)OCN2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PDE10A Q9Y233 1/20 0.36
PTK2 Q05397 3/20 0.35
TRPA1 O75762 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
FYN P06241 1/20 0.34
YES1 P07947 1/20 0.34
FGR P09769 1/20 0.34
KIT P10721 1/20 0.34
MAP3K9 P80192 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MAP4K2 Q12851 1/20 0.34
PTK2B Q14289 1/20 0.34
MYLK Q15746 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL19805947 0.87 PARP1 (0.41) PARP1TRPA1CYP1A2CYP2A6MEN1
SCHEMBL2633106 0.83 PDE10A (0.50) PARP1PDE10ACYP11B1CYP11B2ALDH1A1
SCHEMBL13591314 0.76 NISCH (0.42) CYP11B1CYP11B2MAPTALDH1A1GAA
SCHEMBL20041209 0.74 CASP3 (0.37) CYP11B1CYP11B2ALDH1A1
SCHEMBL28875503 0.74 MAPT (0.39) PTK2MAP4K4FYNMAP2K1MAP4K2
SCHEMBL13406065 0.73 HTR1A (0.52) PARP1CYP11B1CYP11B2KMT2AGABRA1
SCHEMBL14468897 0.73 PARP1 (0.43) PARP1MEN1KMT2AUSP2MAPT
SCHEMBL29585049 0.71 CD274 (0.37) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2633104 0.70 PKM (0.42) PARP1PDE10ACYP11B1CYP11B2MEN1
SCHEMBL24866255 0.70 PDE10A (0.48) PDE10ACYP11B1CYP11B2ALDH1A1

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-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 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 (3 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB PARP1 636/4885PDE10A 3786/4885PTK2 4372/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB PARP1 636/4885PDE10A 3786/4885PTK2 4372/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB PARP1 636/4885PDE10A 3786/4885PTK2 4372/4885

“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.