SCHEMBL25820126

SCHEMBL25820126

Cc1cnc2ccccc2c1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GPR3 P46089 1/20 0.40
ELANE P08246 1/20 0.40
LRRK2 Q5S007 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
XIAP P98170 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
PLAU P00749 1/20 0.36
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
AAK1 Q2M2I8 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
SCHEMBL4821878 0.81 NCF1 (0.46) KDM4EGPR3ELANELRRK2ALDH1A1
SCHEMBL23447177 0.80 KDM4E (0.44) KDM4EGPR3HRH3ALDH1A1GAA
SCHEMBL15414339 0.79 KDM4E (0.42) KDM4EGPR3HRH3ALDH1A1GAA
SCHEMBL27668262 0.78 LRRK2 (0.57) KDM4EGPR3ELANELRRK2ALDH1A1
SCHEMBL4826614 0.75 CYP1A2 (0.47) ELANEALDH1A1HPGD
SCHEMBL25820098 0.75 IP6K1 (0.41) ELANEALDH1A1HSD17B10
SCHEMBL26499887 0.75 GAA (0.40) KDM4EGPR3HRH3ALDH1A1GAA
SCHEMBL10015631 0.73 KDM4E (0.44) KDM4EGPR3LRRK2
SCHEMBL25820158 0.72 GPR3 (0.48) KDM4EGPR3ELANEALDH1A1GAA
SCHEMBL3156746 0.71 CCR1 (0.52) KDM4EGPR3HRH3TLR7

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 KDM4E 4095/4885GPR3 428/4885ELANE 1623/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM4E 4219/4885GPR3 485/4885ELANE 2543/4885

“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.