SCHEMBL24913864

SCHEMBL24913864

c1cc2c(c(CN3CCOCC3)c1)CNC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 7/20 0.53
CYP2C9 P11712 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CXCR4 P61073 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NCF1 P14598 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL30368364 0.98 CYP2A13 (0.51) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
Hydrochloric Acid SCHEMBL29008593 0.98 CYP2A13 (0.51) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL21744609 0.88 CYP2A13 (0.48) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL24913969 0.84 HTR6 (0.49) ALDH1A1KDM4ECYP3A4CYP2D6LMNA
Hydrochloric Acid SCHEMBL29008596 0.83 HTR6 (0.48) ALDH1A1KDM4ECYP3A4CYP2D6LMNA
Hydrochloric Acid SCHEMBL31062476 0.83 HTR6 (0.48) ALDH1A1KDM4ECYP3A4CYP2D6LMNA
SCHEMBL8934446 0.76 DRD2 (0.66) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL11193326 0.75 CYP2A13 (0.75) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL31336054 0.75 TSHR (0.43) HSD17B10KDM4EKMT2AMEN1CYP3A4
SCHEMBL30101416 0.75 HRH3 (0.53) KDM4ECYP2D6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO 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-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 CYP2A13 3761/4885CYP2C9 2730/4885ALOX15 4044/4885

“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.