SCHEMBL31056996

SCHEMBL31056996

Oc1cnc2cc(N3CCOCC3)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KMO O15229 1/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CD O00329 1/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 1/20 0.41
CNR2 P34972 3/20 0.40
AR P10275 1/20 0.40
KMT2A Q03164 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL23247804 0.82 SMN1; SMN2 (0.44) ALDH1A1GAAHPGDTSHRHSD17B10
SCHEMBL23247376 0.81 KMO (0.40) ALDH1A1GAAHPGDTSHRHSD17B10
SCHEMBL14162063 0.76 LRRK2 (0.49) ALDH1A1GAAHPGDPIK3CAHTT
SCHEMBL19879566 0.74 KDM4E (0.49) ALDH1A1HPGDTSHRHSD17B10CASP1
SCHEMBL31104721 0.74 ALDH1A1 (0.58) ALDH1A1GAAHPGDHSD17B10ALOX15
SCHEMBL4856203 0.74 ALDH1A1 (0.58) ALDH1A1GAAHPGDHSD17B10ALOX15
SCHEMBL23247731 0.73 ALDH1A1 (0.38) ALDH1A1GAAHPGDHSD17B10KMO
SCHEMBL31678599 0.72 ALDH1A1 (0.47) ALDH1A1GAAHPGDHSD17B10KMO
SCHEMBL21865082 0.72 GAA (0.59) ALDH1A1GAAHPGDTSHRHSD17B10
SCHEMBL247930 0.70 PIK3CA (0.64) ALDH1A1GAAHPGDTSHRHSD17B10

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-20240246960-A1 7-Morpholino-L,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-07-25 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-20240246960-A1 7-Morpholino-L,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK ALDH1A1 2452/4885GAA 711/4885HPGD 844/4885

“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.