SCHEMBL25820075

SCHEMBL25820075

CC(C)Cc1ccnc2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
AAK1 Q2M2I8 10/20 0.41
GAK O14976 1/20 0.40
IDO1 P14902 4/20 0.40
TRPV1 Q8NER1 1/20 0.38
PARP1 P09874 1/20 0.38
ROCK2 O75116 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
SCHEMBL25820070 0.89 FERMT2 (0.47) AAK1GAK
SCHEMBL25820095 0.82 HTR1A (0.51) TRPV1PARP1ROCK2
SCHEMBL14550229 0.81 CDK8 (0.45) CCNCCDK8GAKIDO1PARP1
SCHEMBL25820130 0.81 KDM4E (0.43) TRPV1PARP1ROCK2
SCHEMBL25820094 0.78 SLC22A12 (0.42) TRPV1ROCK2
SCHEMBL25820108 0.78 IP6K1 (0.43) TRPV1ROCK2
SCHEMBL14147890 0.78 LOXL2 (0.59) CCNCCDK8AAK1GAKPARP1
SCHEMBL25820090 0.78 TRPV1 (0.38) CCNCCDK8GAKTRPV1ROCK2
SCHEMBL2494065 0.78 LOXL2 (0.58) AAK1
SCHEMBL25820092 0.77 GABRA1 (0.34) CCNCCDK8GAKTRPV1ROCK2

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 CCNC 821/4885CDK8 567/4885AAK1 1644/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CCNC 491/4885CDK8 385/4885AAK1 1272/4885

“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.