SCHEMBL25820137

SCHEMBL25820137

CC(C)Cc1ccnc2ccc(C(N)=O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
DPP4 P27487 3/20 0.47
TRPV1 Q8NER1 1/20 0.44
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MET P08581 1/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
IP6K1 Q92551 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
PDE5A O76074 1/20 0.38
TGFB1 P01137 1/20 0.37
AR P10275 1/20 0.37
RET P07949 1/20 0.37
GAK O14976 1/20 0.36

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
SCHEMBL25820139 0.87 SLC2A1 (0.47) TRPV1CCNCCDK8KDM4ENPC1
SCHEMBL25820138 0.87 TRPV1 (0.45) DPP4TRPV1CCNCCDK8KDM4E
SCHEMBL22304201 0.85 KDM4E (0.44) HRH4KDM4EMETAXLMERTK
SCHEMBL25820141 0.85 TRPV1 (0.43) HRH4DPP4TRPV1CCNCCDK8
SCHEMBL22304443 0.78 KDM4E (0.43) HRH4DPP4KDM4EMETAXL
SCHEMBL25820130 0.78 KDM4E (0.43) TRPV1KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL21620547 0.76 KDM4E (0.47) KDM4EMETAXLMERTKIP6K1
SCHEMBL25820095 0.76 HTR1A (0.51) TRPV1KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL25820094 0.75 SLC22A12 (0.42) TRPV1MTNR1AMTNR1BPDE5A
SCHEMBL26351985 0.75 KDM4E (0.43) DPP4KDM4EMETAXLMERTK

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 HRH4 2074/4885DPP4 3843/4885TRPV1 4750/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HRH4 2350/4885DPP4 3650/4885TRPV1 4682/4885

“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.