SCHEMBL25596754

SCHEMBL25596754

CCc1ncncc1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
CALM1 P0DP23 1/20 0.37
CYP11B1 P15538 2/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
CYP2C9 P11712 1/20 0.36
PLA2G7 Q13093 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL9009276 0.86 CYP11B2 (0.45) CYP11B2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL25596550 0.85 ALDH1A1 (0.34) CYP11B2ALDH1A1CYP11B1
SCHEMBL25596755 0.83 PLA2G7 (0.39) CYP11B2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL3916291 0.79 BCL2 (0.47) CYP11B2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL2605772 0.77 CYP17A1 (0.36) CYP11B2CYP11B1
SCHEMBL858731 0.75 CYP11B1 (0.40) CYP11B2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14291273 0.72 CYP17A1 (0.31) CYP11B2CYP2C19CYP2D6CYP11B1CYP2C9
SCHEMBL16822027 0.72 AOC3 (0.38) CYP11B2LMNACYP11B1
SCHEMBL19053830 0.71 NCOA1 (0.42) CYP11B2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL5381515 0.71 BCL2 (0.42) CYP11B2ALDH1A1CYP1A2CYP3A4CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-05-16 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 (1 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-11649251-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 CYP11B2 3691/4885ALDH1A1 4538/4885CYP1A2 4690/4885

“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.