SCHEMBL25841507

SCHEMBL25841507

Cc1cc2ncnc(C3CCC(CO)CC3)c2cc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
MAPK7 Q13164 13/20 0.38
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ESR2 Q92731 1/20 0.34
CHRM4 P08173 1/20 0.33
EGFR P00533 2/20 0.32
CSF1R P07333 2/20 0.32

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
SCHEMBL25841511 0.89 MAPK7 (0.37) IRAK4MAPK7ESR2
SCHEMBL20813639 0.82 MAPK7 (0.54) MAPK7
SCHEMBL25841372 0.81 ENPP1 (0.49) IRAK4MAPK7
SCHEMBL25841370 0.81 ENPP1 (0.49) IRAK4MAPK7
SCHEMBL25841509 0.80 MAPK7 (0.38) IRAK4MAPK7
SCHEMBL25841514 0.78 ENPP1 (0.38) IRAK4MAPK7
SCHEMBL25841522 0.76 ENPP1 (0.51) CYP3A4CHRM4
SCHEMBL20797981 0.72 MAPK7 (0.52) MAPK7
SCHEMBL30776980 0.72 MAPK7 (0.52) MAPK7
SCHEMBL20798135 0.69 MAPK7 (0.51) MAPK7

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-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

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 IRAK4 4130/4885MAPK7 2143/4885JAK2 3552/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 IRAK4 4130/4885MAPK7 2143/4885JAK2 3552/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 IRAK4 4130/4885MAPK7 2143/4885JAK2 3552/4885

“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.