SCHEMBL20106951

SCHEMBL20106951

Cc1c(Nc2nc(=O)ccn2CC2=CC(F)C(F)C(F)=C2)ccc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.49
PRKCQ Q04759 4/20 0.33
PRKCD Q05655 4/20 0.33
PRKCB P05771 1/20 0.32
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 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
SCHEMBL19908103 0.79 P2RX7 (0.61) P2RX7
SCHEMBL19907614 0.78 P2RX7 (0.73) P2RX7
SCHEMBL19907903 0.75 P2RX7 (0.56) P2RX7
SCHEMBL19908093 0.68 P2RX7 (0.68) P2RX7
SCHEMBL19907488 0.67 P2RX7 (0.80) P2RX7
SCHEMBL19907526 0.67 P2RX7 (0.68) P2RX7
SCHEMBL19907377 0.66 P2RX7 (0.82) P2RX7
SCHEMBL19907542 0.66 P2RX7 (0.70) P2RX7
SCHEMBL19907563 0.66 P2RX7 (1.00) P2RX7
SCHEMBL19907591 0.65 P2RX7 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2018-05-03 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 (1 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 1497/4885PRKCQ 2402/4885PRKCD 1728/4885

“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.