SCHEMBL25670579

SCHEMBL25670579

COc1c(C)ccc2c(C(C)(C)C)ncnc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.36
▸ PDE1B Q01064 9/20 0.36
▸ PDE1A P54750 5/20 0.36
▸ PDE1C Q14123 5/20 0.36
▸ PDE2A O00408 1/20 0.31
▸ PDE8B O95263 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE11A Q9HCR9 1/20 0.31
▸ PDE7B Q9NP56 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ SSTR4 P31391 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30

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
SCHEMBL12775446 0.84 PDE1B (0.51) PDE5APDE1BPDE1APDE1CPDE2A
SCHEMBL12775449 0.74 PDE5A (0.62) PDE5APDE1BPDE1APDE1CPDE2A
SCHEMBL24067423 0.73 KDM4E (0.40) PDE5APDE1BPDE1APDE1C
SCHEMBL24067435 0.67 PDE5A (0.41) PDE5APDE10A
SCHEMBL24604812 0.67 MAPT (0.39) —
SCHEMBL21325055 0.66 RIPK1 (0.33) PDE1BSSTR4
SCHEMBL12775275 0.66 EGFR (0.51) PDE10AADRA1DADRA1AADRA1B
SCHEMBL15315856 0.65 KDM4E (0.52) —
SCHEMBL13019497 0.65 ALDH1A1 (0.36) PDE5A
SCHEMBL24067418 0.65 NOTUM (0.35) PDE1BPDE1APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 — — 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 (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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 PDE5A 494/4885PDE1B 740/4885PDE1A 608/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 PDE5A 150/4885PDE1B 143/4885PDE1A 92/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 PDE5A 494/4885PDE1B 740/4885PDE1A 608/4885

“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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