SCHEMBL25819933

SCHEMBL25819933

CC(C)Cc1nccc2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
IMPDH2 P12268 3/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 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
SCHEMBL12650509 0.80 PDE3B (0.41) PDE3BPDE3AHTR2AHTR2CHTR2B
SCHEMBL9963354 0.79 CYP2A6 (0.50) PDE3BPDE3ALMNACYP3A4CYP2C19
SCHEMBL26179203 0.76 CYP3A4 (0.37) HTR2AHTR2CHTR2BLMNAKDM4E
SCHEMBL25819925 0.74 KDM4E (0.38) HTR2AHTR2CHTR2BLMNAKDM4E
SCHEMBL14134266 0.73 LMNA (0.40) HTR2AHTR2CHTR2BLMNAKDM4E
SCHEMBL28785614 0.72 PRKCH (0.56) CYP1A2ROCK2ROCK1LATS1LATS2
SCHEMBL15218491 0.72 LMNA (0.49) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL15826710 0.72 LATS1 (0.55) CYP1A2ROCK2ROCK1LATS1LATS2
SCHEMBL15825288 0.71 PDE3B (0.47) PDE3BPDE3AKDM4EROCK1USP2
SCHEMBL25819938 0.71 HTR2A (0.38) HTR2AHTR2CHTR2BLMNAKDM4E

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 PDE3B 479/4885PDE3A 350/4885HTR2A 2819/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PDE3B 570/4885PDE3A 451/4885HTR2A 2539/4885

“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.