SCHEMBL19906476

SCHEMBL19906476

COc1ccc(C)c(Nc2nc(=O)c(OC)cn2Cc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 1.00

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
SCHEMBL19907786 0.92 P2RX7 (1.00) P2RX7
SCHEMBL19906595 0.92 P2RX7 (1.00) P2RX7
SCHEMBL19907666 0.91 P2RX7 (1.00) P2RX7
SCHEMBL19907015 0.91 P2RX7 (1.00) P2RX7
SCHEMBL19906518 0.91 P2RX7 (1.00) P2RX7
SCHEMBL19907536 0.90 P2RX7 (1.00) P2RX7
SCHEMBL19907596 0.90 P2RX7 (1.00) P2RX7
SCHEMBL19907452 0.90 P2RX7 (1.00) P2RX7
SCHEMBL19906522 0.90 P2RX7 (1.00) P2RX7
SCHEMBL19907069 0.90 P2RX7 (1.00) P2RX7

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-11124486-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2021-09-21 US disclosed
US-10774051-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2020-09-15 US disclosed
US-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2018-05-03 US disclosed
EP-3287443-A1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Shionogi & Co., Ltd (JP) 2018-02-28 EP 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-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S P2RX7 1497/4885
US-11124486-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S P2RX7 1324/4885
US-10774051-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S P2RX7 1497/4885

“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.