SCHEMBL25820119

SCHEMBL25820119

CC(C)Cc1ccnc2ccc(N3CCC(F)(F)C3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.35
QPCT Q16769 4/20 0.35
RXRA P19793 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
JAK2 O60674 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
OGA O60502 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL25820120 0.93 MEN1 (0.38) MEN1GLAGAAKMT2AKDM4E
SCHEMBL25820116 0.90 MEN1 (0.34) RXRAGRIN1GRIN2BMEN1GLA
SCHEMBL25820104 0.83 IP6K1 (0.48) MEN1GLAGAAKMT2AKDM4E
SCHEMBL25820106 0.83 IP6K1 (0.45) MEN1GLAGAAKMT2AKDM4E
SCHEMBL25820121 0.82 MAP4K4 (0.49) MEN1GLAGAAKMT2AKDM4E
SCHEMBL25820148 0.81 LATS1 (0.38) MEN1GLAGAAKMT2ALRRK2
SCHEMBL25820105 0.80 CLK1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL25820161 0.80 HRH4 (0.51) MEN1GLAGAAKMT2AADRB2
SCHEMBL25820118 0.80 HRH4 (0.35) RXRAGRIN1GRIN2BMEN1GLA
SCHEMBL23999848 0.79 QPCT (0.37) F2RL1QPCTRXRAGRIN1GRIN2B

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 F2RL1 3065/4885QPCT 3071/4885RXRA 3394/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA F2RL1 4015/4885QPCT 3285/4885RXRA 3464/4885

“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.