SCHEMBL25596755

SCHEMBL25596755

CCc1ncncc1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.39
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 6/20 0.37
CYP2C19 P33261 5/20 0.37
USP2 O75604 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2D6 P10635 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HIF1A Q16665 2/20 0.33
PTGS2 P35354 1/20 0.33
MAPK1 P28482 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
RPS6KB1 P23443 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
SCHEMBL25596550 0.85 ALDH1A1 (0.34) ALDH1A1CYP11B1CYP11B2HPGDKDM4E
SCHEMBL25596754 0.83 CYP11B2 (0.40) PLA2G7CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL2605772 0.74 CYP17A1 (0.36) CYP11B1CYP11B2
SCHEMBL9009276 0.70 CYP11B2 (0.45) PLA2G7CYP1A2CYP3A4CYP2C19USP2
SCHEMBL16822027 0.70 AOC3 (0.38) LMNACYP11B1CYP11B2
SCHEMBL14291273 0.70 CYP17A1 (0.31) CYP2C19CYP2C9CYP11B1CYP11B2CYP2D6
SCHEMBL371953 0.69
SCHEMBL29415409 0.69 GRM2 (0.48) PLA2G7CYP1A2CYP3A4CYP2C19USP2
SCHEMBL29618892 0.69
SCHEMBL10033147 0.69 CYP11B2 (0.33) CYP11B2

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 PLA2G7 2670/4885CYP1A2 4690/4885CYP3A4 4577/4885

“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.