SCHEMBL25820073

SCHEMBL25820073

CC(C)Cc1ccnc2cccc(F)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.35
ALOX5AP P20292 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
FEN1 P39748 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CDK2 P24941 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL25820132 0.82 ELANE (0.40) PARP1GABRA1GABRB2LOXL2ALOX5AP
SCHEMBL25820084 0.78 ALOX5AP (0.37) GABRA1GABRB2LOXL2ALOX5AP
SCHEMBL25822467 0.75 PARP1 (0.41) PARP1GABRA1GABRB2ALOX5APCDK2
SCHEMBL25636291 0.75 PARP1 (0.41) PARP1GABRA1GABRB2HTR2CHTR2B
SCHEMBL2494065 0.74 LOXL2 (0.58) LOXL2
SCHEMBL4619983 0.72 PARP1 (0.44) PARP1
SCHEMBL23479348 0.71 PARP1 (0.41) PARP1ALOX5APFEN1
SCHEMBL14010021 0.71 LOXL2 (0.38) GABRA1GABRB2LOXL2HTR2AHTR2C
SCHEMBL12749711 0.69 KDM4E (0.48) GABRA1GABRB2LOXL2HSP90AB1HTR2A
SCHEMBL21037109 0.69 GABRA1 (0.47) GABRA1GABRB2

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 PARP1 2894/4885GABRA1 3307/4885GABRB2 2323/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PARP1 2205/4885GABRA1 3364/4885GABRB2 2245/4885

“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.