SCHEMBL25820149

SCHEMBL25820149

CC(C)Cc1ccnc2ccc(N3CCOC(C)C3)cc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.39
SYK P43405 5/20 0.39
ATR Q13535 4/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK6 Q00534 1/20 0.36
ATRIP Q8WXE1 2/20 0.36
PDPK1 O15530 1/20 0.35

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
SCHEMBL25820151 0.86 TDP1 (0.44) LRRK2
SCHEMBL25820105 0.84 CLK1 (0.44) LRRK2
SCHEMBL25820145 0.84 SYK (0.38) LRRK2SYKATRCDK4CCND1
SCHEMBL26329863 0.81 LRRK2 (0.44) LRRK2SYKATR
SCHEMBL25821153 0.80 PRKDC (0.43) LRRK2
SCHEMBL26081274 0.80 LRRK2 (0.38) LRRK2SYKATRATRIPPDPK1
SCHEMBL25820104 0.80 IP6K1 (0.48)
SCHEMBL25820106 0.80 IP6K1 (0.45)
SCHEMBL25820118 0.79 HRH4 (0.35)
SCHEMBL25820121 0.79 MAP4K4 (0.49)

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR LRRK2 500/4885SYK 1886/4885ATR 863/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA LRRK2 820/4885SYK 1923/4885ATR 708/4885

“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.