SCHEMBL20865367

SCHEMBL20865367

BC1(B)Oc2cc3ncnc(Cl)c3cc2OC1(B)B

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ENPP1 P22413 3/20 0.39
EGFR P00533 6/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
DYRK1A Q13627 1/20 0.30
AXL P30530 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL1012990 0.75 EGFR (0.52) EGFR
SCHEMBL29589537 0.75 PDE5A (0.48) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL31004058 0.75 EGFR (0.52) EGFR
SCHEMBL367950 0.75 PDE5A (0.48) PDE4APDE4BPDE4CPDE4DENPP1
Hydrochloric Acid SCHEMBL8808443 0.74 PDE5A (0.47) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL12201513 0.72 ENPP1 (0.42) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL362314 0.71 EGFR (0.55) EGFR
SCHEMBL4073470 0.69 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL858136 0.67 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL6795808 0.66 EGFR (0.60) PDE4APDE4BPDE4CPDE4DENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377451-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-05 US disclosed
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 US disclosed
US-20200290978-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-17 US disclosed
WO-2019067543-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-04 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-11377451-B2 Compositions and methods for treating cancer TP53, EGFR, SLC2A1 PDE4A 2925/4885PDE4B 3000/4885PDE4C 2353/4885
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, SLC2A1, EGFR PDE4A 3041/4885PDE4B 3131/4885PDE4C 2575/4885
US-20200290978-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 PDE4A 3050/4885PDE4B 3150/4885PDE4C 2602/4885

“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.