SCHEMBL12705673

SCHEMBL12705673

CC(C)(C)OC(=O)NNc1cc(Cl)ncn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
AAK1 Q2M2I8 3/20 0.38
ATR Q13535 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAP4K4 O95819 1/20 0.36
TRPA1 O75762 1/20 0.35
FGFR4 P22455 1/20 0.35
APLNR P35414 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 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
SCHEMBL18805591 0.84 ATR (0.45) NPC1AAK1ATRL3MBTL1MAP4K4
SCHEMBL29400652 0.84 ATR (0.45) NPC1AAK1ATRL3MBTL1MAP4K4
SCHEMBL21177638 0.84 GAA (0.42) GAANPC1MEN1KMT2ARAB9A
SCHEMBL12705675 0.81 GAA (0.40) GAANPC1MEN1KMT2ARAB9A
SCHEMBL2227738 0.80 KMO (0.48) AAK1
SCHEMBL14692716 0.79 GAA (0.46) GAANPC1MEN1KMT2ARAB9A
SCHEMBL23852050 0.79 GAA (0.46) GAANPC1MEN1KMT2ARAB9A
SCHEMBL27775454 0.78 GAA (0.45) GAANPC1MEN1KMT2ARAB9A
SCHEMBL11909033 0.77 STK17B (0.47) GAAMEN1KMT2AALDH1A1STK17B
SCHEMBL21177599 0.77 KMT2A (0.41) GAANPC1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141957-A1 N-PYRIMIDINYL HYDROXY PYRAZOLE DERIVATIVES AND USES THEREOF CADO BIOTECHNOLOGY IVS (DK) 2019-07-25 WO disclosed
US-10301289-B2 Method for the preparation of triazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20150087827-A1 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCAFT (DE) 2015-03-26 US disclosed
US-20150087827-A1 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCAFT (DE) 2015-03-26 US disclosed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 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 (2 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-10301289-B2 Method for the preparation of triazole compounds CYP4B1, BRI3BP, BRD4 GAA 2871/4885NPC1 4010/4885MEN1 819/4885
US-20150087827-A1 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS CYP4B1, BRI3BP, BRD4 GAA 2871/4885NPC1 4010/4885MEN1 819/4885

“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.