SCHEMBL20773129

SCHEMBL20773129

N#CCc1ccccc1-n1nccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 8/20 0.33
HCRTR2 O43614 8/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TPH1 P17752 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
MGLL Q99685 1/20 0.32
ATR Q13535 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL20773261 0.77 NPC1 (0.47) ALDH1A1HPGDHCRTR1HCRTR2MEN1
SCHEMBL2022006 0.75 TPH1 (0.34) ALDH1A1HCRTR1HCRTR2CYP19A1TPH1
SCHEMBL2023861 0.75 KDM4E (0.39) ALDH1A1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL534197 0.73 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2MEN1MAPT
SCHEMBL20773300 0.73 CYP3A4 (0.57) ALDH1A1CYP19A1MEN1MAPTKMT2A
SCHEMBL29809738 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL1945874 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL20773762 0.72 TAAR1 (0.45) SMN1; SMN2TPH1CYP1A2
SCHEMBL1671785 0.71 KDM4E (0.46) ALDH1A1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL1894192 0.70 GAA (0.46) ALDH1A1HPGDSMN1; SMN2MEN1MAPT

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 ALDH1A1 2920/4885HPGD 2994/4885SMN1; SMN2 2885/4885

“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.