SCHEMBL25824894

SCHEMBL25824894

Cc1cn(-c2cc(C(C)C)ccn2)nn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.40
GRIN1 Q05586 13/20 0.40
GRIN2B Q13224 13/20 0.40
BRD4 O60885 1/20 0.37
LRRK2 Q5S007 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
NOTUM Q6P988 2/20 0.32
PDE10A Q9Y233 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
SCHEMBL25820300 0.84 RXRA (0.39) RXRAGRIN1GRIN2BEGLN2FLT1
SCHEMBL25832879 0.81 RXRA (0.36) RXRAGRIN1GRIN2BFLT1KDR
SCHEMBL26308871 0.80 GRIN1 (0.52) RXRAGRIN1GRIN2BBRD4LRRK2
SCHEMBL25824836 0.73 RXRA (0.58) RXRAGRIN1GRIN2BFLT1KDR
SCHEMBL13183643 0.71 ESRRA (0.52) NOTUM
SCHEMBL14416093 0.71 SMN1; SMN2 (0.50) BRD4EGLN2
SCHEMBL14804465 0.71 GRM5 (0.49)
SCHEMBL84469 0.69 UHRF1 (0.52) LRRK2FLT1KDR
SCHEMBL30490644 0.69 UHRF1 (0.52) LRRK2FLT1KDR
SCHEMBL16019498 0.69 PANK3 (0.48)

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-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 (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-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.