SCHEMBL25501079

SCHEMBL25501079

COc1ccnc(C(=O)Nc2nc3ccc(Oc4ccc(C(F)(F)F)nc4C)nc3s2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 5/20 0.35
RXFP1 Q9HBX9 3/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NCS1 P62166 1/20 0.35
BRAF P15056 2/20 0.34
RAF1 P04049 1/20 0.34
KCNH2 Q12809 1/20 0.34
CHRM4 P08173 2/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL25499207 0.91 KDM4E (0.38) HCRTR1HCRTR2MAPTSMN1; SMN2NPC1
SCHEMBL25501004 0.85 BUB1 (0.41) HCRTR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23720074 0.84 NCS1 (0.43) MAPTSMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL31683884 0.84 NCS1 (0.43) MAPTSMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL23719992 0.83 ABL1 (0.43) MAPTNPC1RAB9AKDM4ERXFP1
SCHEMBL31683921 0.83 ABL1 (0.43) MAPTNPC1RAB9AKDM4ERXFP1
SCHEMBL25500996 0.83 ABL1 (0.42) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL21186127 0.81 NPC1 (0.45) HCRTR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21186103 0.81 HCK (0.45) MAPTNPC1RAB9AKDM4ERXFP1
SCHEMBL31683882 0.80 ABL1 (0.41) MAPTNPC1RAB9AKDM4ERXFP1

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-20230151023-A1 PYRIDO[2,3-E]OXAZINE DERIVATIVES AS AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2023-05-18 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-20230151023-A1 PYRIDO[2,3-E]OXAZINE DERIVATIVES AS AGRICULTURAL CHEMICALS PNPO, HPD, PDXK HCRTR1 2530/4885HCRTR2 2441/4885MAPT 553/4885

“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.