SCHEMBL29339540

SCHEMBL29339540

CNc1ncc(OCCN2CCOCC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN2A Q99250 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SCN3A Q9NY46 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SYK P43405 1/20 0.48

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
SCHEMBL13433946 0.83 NPC1 (0.56) LTA4HALDH1A1NPC1KDM4ERAB9A
SCHEMBL27002892 0.80 KDM4E (0.60) LTA4HALDH1A1NPC1KDM4ERAB9A
SCHEMBL14196614 0.80 NPC1 (0.56) LTA4HALDH1A1NPC1KDM4ERAB9A
SCHEMBL26799190 0.79 ALDH1A1 (0.49) LTA4HALDH1A1NPC1KDM4ERAB9A
SCHEMBL13400756 0.79 MEN1 (0.55) LTA4HALDH1A1NPC1KDM4ERAB9A
SCHEMBL29339594 0.79 SIGMAR1 (0.45) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL113405 0.78 LTA4H (0.63) LTA4HALDH1A1NPC1KDM4ERAB9A
SCHEMBL20037920 0.78 NPC1 (0.60) LTA4HALDH1A1NPC1KDM4ERAB9A
SCHEMBL4465091 0.75 PRKAB2 (0.61) LTA4HALDH1A1NPC1KDM4ERAB9A
SCHEMBL16535859 0.75 TSHR (0.61) LTA4HALDH1A1NPC1KDM4ERAB9A

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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK LTA4H 4362/4885ALDH1A1 2208/4885NPC1 2989/4885

“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.