SCHEMBL25819925

SCHEMBL25819925

CC(C)Cc1cncc2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
MAOA P21397 2/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 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
SCHEMBL25819938 0.87 HTR2A (0.38) KDM4EMAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL18913245 0.81 TNF (0.45) KDM4EMAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL14113388 0.80 CYP11B1 (0.44) KCNA5KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL15218491 0.77 LMNA (0.49) KDM4EMAPKAPK2KCNA5KCNH2LMNA
SCHEMBL18858537 0.77 AOC1 (0.43) KCNH2CYP2D6CYP2C19AOC1AOC3
SCHEMBL31375767 0.76 AOC1 (0.48) KDM4EMAPKAPK2LMNACYP1A2CYP3A4
SCHEMBL25820066 0.75 PDE10A (0.39) HTR2AHTR2C
SCHEMBL25819933 0.74 PDE3B (0.45) KDM4EMAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL23546227 0.73 KDM4E (0.53) KDM4EHTR2AHTR2CHTR2BMAOA
SCHEMBL18022521 0.73 CYP11B1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 KDM4E 4095/4885MAPKAPK2 138/4885HTR2A 2819/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM4E 4219/4885MAPKAPK2 136/4885HTR2A 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.