SCHEMBL20773261

SCHEMBL20773261

N#CCc1ccccc1-n1cccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MPO P05164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
KMT2A Q03164 1/20 0.41
NPBWR1 P48145 1/20 0.39
CHRM1 P11229 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
CACNA1G O43497 1/20 0.37

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
SCHEMBL26078395 0.84 NPC1 (0.43) NPC1MAPK1PDK1PDK2PDK3
SCHEMBL12481069 0.79 MAPK1 (0.53) NPC1MAPK1PDK1PDK2PDK3
SCHEMBL18584960 0.77 NPC1 (0.56) NPC1MAPK1PDK1PDK2PDK3
SCHEMBL21516008 0.77 MAPK1 (0.51) NPC1MAPK1PDK1PDK2PDK3
SCHEMBL20695961 0.77 MAPK1 (0.51) NPC1MAPK1PDK1PDK2PDK3
SCHEMBL110394 0.77 NPC1 (0.51) NPC1MAPK1PDK1PDK2PDK3
SCHEMBL20773129 0.77 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL24352674 0.77 NPC1 (0.47) NPC1MAPK1PDK1PDK2PDK3
SCHEMBL4341886 0.75 MAPK1 (0.67) NPC1MAPK1MPOALDH1A1KDM4E
SCHEMBL30332519 0.75 NPC1 (0.49) NPC1MAPK1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 EP disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A NPC1 2491/4885MAPK1 1076/4885PDK1 2616/4885

“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.