SCHEMBL20813639

SCHEMBL20813639

COc1cc2ncnc(C3CCC(CO)CC3)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 12/20 0.54
PDE1B Q01064 1/20 0.46
ENPP1 P22413 3/20 0.46
MAPK1 P28482 1/20 0.45
PDE10A Q9Y233 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL30776980 0.90 MAPK7 (0.52) MAPK7PDE1BENPP1MAPK1ACHE
SCHEMBL20797981 0.90 MAPK7 (0.52) MAPK7PDE1BENPP1MAPK1ACHE
SCHEMBL20798135 0.87 MAPK7 (0.51) MAPK7PDE1BENPP1PDE10AACHE
SCHEMBL20813642 0.84 MAPK7 (0.49) MAPK7PDE1BENPP1MAPK1
SCHEMBL27112047 0.84 MAPK7 (0.49) MAPK7PDE1BENPP1
SCHEMBL27113983 0.83 MAPK7 (0.48) MAPK7PDE1BENPP1PDE10A
SCHEMBL25841507 0.82 IRAK4 (0.39) MAPK7
SCHEMBL29190833 0.82 MAPK7 (0.54) MAPK7PDE1BACHEBACE1
SCHEMBL3563598 0.82 MAPK7 (0.54) MAPK7PDE1B
SCHEMBL24067412 0.82 ENPP1 (0.69) MAPK7ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117883449-A ENPP1 inhibitors and their use for the treatment of cancer 里兰斯坦福初级大学理事会 2024-04-16 CN disclosed
EP-4327882-A2 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER The Board of Trustees of the Leland Stanford Junior University (US) 2024-02-28 EP disclosed
CN-111372587-B ENPP1 inhibitors and their use for the treatment of cancer 里兰斯坦福初级大学理事会 2024-01-09 CN disclosed
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 US disclosed
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 US disclosed
US-20210369747-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-12-02 US disclosed
CN-111372587-A ENPP1 inhibitors and their use for treating cancer 里兰斯坦福初级大学理事会 2020-07-03 CN disclosed
WO-2019051269-A1 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-14 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 (4 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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 MAPK7 2143/4885PDE1B 740/4885ENPP1 1/4885
US-20210369747-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 MAPK7 2143/4885PDE1B 740/4885ENPP1 1/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 MAPK7 2143/4885PDE1B 740/4885ENPP1 1/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 MAPK7 2143/4885PDE1B 740/4885ENPP1 1/4885

“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.