SCHEMBL25820290

SCHEMBL25820290

CC(C)c1cc(-n2cc(C(C)C)nn2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.42
GRIN1 Q05586 12/20 0.42
GRIN2B Q13224 12/20 0.42
KCNH2 Q12809 1/20 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
SCHEMBL19589440 0.81 MAOA (0.50) RXRAGRIN1GRIN2BKCNH2
SCHEMBL30808857 0.80 ESRRA (0.44)
SCHEMBL23008630 0.80 CYP1B1 (0.37) RXRAGRIN1GRIN2B
SCHEMBL25820296 0.75 RXRA (0.58) RXRAGRIN1GRIN2B
SCHEMBL25868678 0.75 RXRA (0.50) RXRAGRIN1GRIN2B
SCHEMBL13119830 0.75 P2RX7 (0.50)
SCHEMBL25825567 0.75 RXRA (0.38) RXRAGRIN1GRIN2BKCNH2
SCHEMBL10257033 0.74 NOTUM (0.56) RXRAGRIN1GRIN2B
SCHEMBL25820300 0.74 RXRA (0.39) RXRAGRIN1GRIN2B
SCHEMBL13183607 0.74 NOTUM (0.53) 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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR RXRA 3108/4885GRIN1 3119/4885GRIN2B 3348/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA RXRA 3464/4885GRIN1 1557/4885GRIN2B 2054/4885

“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.