SCHEMBL21888896

SCHEMBL21888896

CC(C)(C)c1n[nH]c2cc(CC(C)(C)c3c[nH]c4cccnc34)cnc12

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 20/20 0.39
▸ CYP1A2 P05177 3/20 0.38

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
SCHEMBL21566695 0.76 GRM4 (0.36) GRM4CYP1A2
SCHEMBL19287867 0.74 GRM4 (0.41) GRM4CYP1A2
SCHEMBL17515573 0.73 GRM4 (0.50) GRM4
SCHEMBL24004539 0.73 GRM4 (0.39) GRM4CYP1A2
SCHEMBL22927997 0.71 PSMD14 (0.40) GRM4CYP1A2
SCHEMBL10066651 0.70 PSMD14 (0.44) GRM4
SCHEMBL3889048 0.68 PSMD14 (0.42) GRM4CYP1A2
SCHEMBL21888882 0.67 — —
SCHEMBL19273386 0.66 KCNMA1 (0.41) GRM4
SCHEMBL18672882 0.63 MEN1 (0.36) GRM4

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-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 — — 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-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GRM4 502/4885CYP1A2 3401/4885

“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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