SCHEMBL25820098

SCHEMBL25820098

Cc1cnc2ccc(N(C)C)cc2c1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.41
EGFR P00533 3/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
APAF1 O14727 1/20 0.36
ADK P55263 1/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
PSMB5 P28074 3/20 0.35
APP P05067 2/20 0.34

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
SCHEMBL25820126 0.75 KDM4E (0.40) HSD17B10ALDH1A1ELANE
SCHEMBL25820108 0.74 IP6K1 (0.43) IP6K1EGFRPDE3BPDE3AADK
SCHEMBL25828236 0.72 APP (0.51) IP6K1EGFRPDE3BPDE3AAPAF1
SCHEMBL25820101 0.70 PDE3B (0.44) IP6K1EGFRPDE3BPDE3AAPAF1
SCHEMBL12240676 0.68 IP6K1 (0.50) IP6K1EGFRPDE3BPDE3AAPAF1
SCHEMBL28175755 0.64 HTR1A (0.35) MEN1MAPK1KMT2ACYP1A2CYP3A4
SCHEMBL26311638 0.63
SCHEMBL25050110 0.63 ESR1 (0.39) EGFRADKMAPK1KMT2ACYP3A4
SCHEMBL25820107 0.63 ADK (0.38) ADKELANE
SCHEMBL17229270 0.62 KDM5A (0.32)

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 IP6K1 186/4885EGFR 1128/4885PDE3B 479/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA IP6K1 64/4885EGFR 1176/4885PDE3B 570/4885

“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.