SCHEMBL25820122

SCHEMBL25820122

CC(C)Cc1ccnc2ccc(N3CC4(CNC4)C3)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK6 Q00534 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSC P53634 1/20 0.31
DPP4 P27487 1/20 0.31
NCF1 P14598 2/20 0.31
IP6K1 Q92551 2/20 0.31
IP6K3 Q96PC2 1/20 0.31
KHK P50053 1/20 0.31
CYP19A1 P11511 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL25820123 0.86 ACVR1 (0.34) MEN1GLAGAAKMT2AKDM4E
SCHEMBL25820116 0.85 MEN1 (0.34) HRH4HTR2AHTR2CHTR2BMEN1
SCHEMBL25821159 0.83 DPP4 (0.34) CDK4CCND1CDK6CTSCDPP4
SCHEMBL25820161 0.82 HRH4 (0.51) HRH4HTR2AHTR2CHTR2BMEN1
SCHEMBL25820104 0.80 IP6K1 (0.48) HRH4MEN1GLAGAAKMT2A
SCHEMBL25820106 0.80 IP6K1 (0.45) HRH4MEN1GLAGAAKMT2A
SCHEMBL25820121 0.79 MAP4K4 (0.49) HRH4MEN1GLAGAAKMT2A
SCHEMBL25820119 0.79 F2RL1 (0.35) CDK4CCND1MEN1GLAGAA
SCHEMBL25826720 0.79 IRAK4 (0.38) CDK4CCND1CDK6
SCHEMBL25820120 0.79 MEN1 (0.38) HRH4MEN1GLAGAAKMT2A

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 2074/4885CDK4 670/4885CCND1 2826/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HRH4 2350/4885CDK4 360/4885CCND1 2118/4885

“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.