SCHEMBL22725520

SCHEMBL22725520

CC(C)c1ccnc(CC(C)c2ccnnc2)n1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL21516067 0.81 RXRA (0.31) RXRAGRIN1GRIN2B
SCHEMBL12120619 0.76 RXRA (0.33) RXRAGRIN1GRIN2B
SCHEMBL18494814 0.75 RXRA (0.32) RXRAGRIN1GRIN2B
SCHEMBL18950388 0.75 APLNR (0.35) RXRAGRIN1GRIN2B
SCHEMBL22725522 0.74 — —
SCHEMBL21186473 0.73 ESR1 (0.35) —
SCHEMBL20341255 0.71 RXRA (0.30) RXRAGRIN1GRIN2B
SCHEMBL10267302 0.70 RXRA (0.33) RXRAGRIN1GRIN2B
SCHEMBL26532695 0.70 CYP3A4 (0.33) RXRAGRIN1GRIN2B
SCHEMBL23194584 0.69 RXRA (0.35) RXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 — — US disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 — — 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 (2 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-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 RXRA 3159/4885GRIN1 1480/4885GRIN2B 2055/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 RXRA 3219/4885GRIN1 1612/4885GRIN2B 2135/4885

“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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