SCHEMBL25820090

SCHEMBL25820090

CC(C)Cc1ccnc2ccc(C#CF)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
ROCK2 O75116 1/20 0.37
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
MAP3K14 Q99558 2/20 0.33
ACACB O00763 1/20 0.33
GAK O14976 1/20 0.32
RIPK2 O43353 1/20 0.32
COQ8A Q8NI60 1/20 0.32
NLK Q9UBE8 1/20 0.32
CDK8 P49336 2/20 0.31
MAP2K2 P36507 1/20 0.31
CLK2 P49760 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PDE5A O76074 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
CCNC P24863 1/20 0.31
EGFR P00533 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
SCHEMBL25821117 0.87 CDK8 (0.38) TRPV1ROCK2MTNR1AMTNR1BMAP3K14
SCHEMBL25821116 0.85 MAP3K14 (0.38) TRPV1ROCK2MAP3K14ACACBGAK
SCHEMBL25821192 0.83 CDK8 (0.45) GAKRIPK2COQ8ANLKCDK8
SCHEMBL25820092 0.83 GABRA1 (0.34) TRPV1ROCK2MTNR1AMTNR1BMAP3K14
SCHEMBL25820075 0.78 CCNC (0.42) TRPV1ROCK2GAKCDK8CCNC
SCHEMBL16288743 0.76 SMN1; SMN2 (0.49) MAP3K14GAKRIPK2COQ8ANLK
SCHEMBL25820095 0.76 HTR1A (0.51) TRPV1ROCK2MTNR1AMTNR1BLOXL2
SCHEMBL25820130 0.75 KDM4E (0.43) TRPV1ROCK2MTNR1AMTNR1BLOXL2
SCHEMBL16288742 0.73 MAP3K14 (0.34) MAP3K14GAKRIPK2COQ8ANLK
SCHEMBL25820108 0.72 IP6K1 (0.43) TRPV1ROCK2GSK3AGSK3BCLK4

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 TRPV1 4682/4885ROCK2 1486/4885MTNR1A 1625/4885

“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.