SCHEMBL25820120

SCHEMBL25820120

CC(C)Cc1ccnc2ccc(N3CCC(F)(F)CC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IP6K1 Q92551 3/20 0.36
MAP4K4 O95819 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
ADRB2 P07550 1/20 0.35
SOS1 Q07889 1/20 0.35
IP6K3 Q96PC2 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
LNPEP Q9UIQ6 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
TNF P01375 1/20 0.33

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
SCHEMBL25820119 0.93 F2RL1 (0.35) MEN1GLAGAAKMT2ALMNA
SCHEMBL25820116 0.88 MEN1 (0.34) MEN1GLAGAAKMT2ALMNA
SCHEMBL25820106 0.87 IP6K1 (0.45) MEN1GLAGAAKMT2ALMNA
SCHEMBL25820104 0.87 IP6K1 (0.48) MEN1GLAGAAKMT2ALMNA
SCHEMBL25820121 0.86 MAP4K4 (0.49) MEN1GLAGAAKMT2ALMNA
SCHEMBL25820161 0.84 HRH4 (0.51) MEN1GLAGAAKMT2AHRH4
SCHEMBL25820105 0.84 CLK1 (0.44) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL25820160 0.82 HRH4 (0.46) MEN1GLAGAAKMT2ALMNA
SCHEMBL25820118 0.81 HRH4 (0.35) MEN1GLAGAAKMT2ALMNA
SCHEMBL25821153 0.80 PRKDC (0.43) MEN1KMT2ALMNASMN1; SMN2KDM4E

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 MEN1 1948/4885GLA 1790/4885GAA 819/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA MEN1 1172/4885GLA 2678/4885GAA 1228/4885

“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.