SCHEMBL29896902

SCHEMBL29896902

CN(C)/C=N/c1ncccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HBB P68871 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 10/20 0.37
KDM4E B2RXH2 9/20 0.37
GAA P10253 3/20 0.37
GLA P06280 2/20 0.37
ALOX15 P16050 2/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL1355484 1.00 MAPT (0.37) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL1355485 1.00 MAPT (0.37) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL18497895 0.79 KDM4E (0.37) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL18497894 0.79 KDM4E (0.37) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL810254 0.75 GAA (0.45) MAPTHTTL3MBTL1MAPK1HSD17B10
SCHEMBL810255 0.75 GAA (0.45) MAPTHTTL3MBTL1MAPK1HSD17B10
SCHEMBL25345980 0.73 L3MBTL1 (0.38) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL25345988 0.73 L3MBTL1 (0.38) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL30236666 0.73 CYP2C9 (0.40) MAPTKMT2AHTTMEN1ALDH1A1
SCHEMBL29756159 0.71 KMT2A (0.37) MAPTKMT2AHTTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF ASTEX THERAPEUTICS LIMITED (GB) 2023-01-26 US disclosed
EP-4051266-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2022-09-07 EP 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-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF KRAS, NRAS, HRAS MAPT 3117/4885KMT2A 297/4885HTT 2140/4885

“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.