SCHEMBL19969558

SCHEMBL19969558

CC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
RXFP1 Q9HBX9 2/20 1.00
MAPK1 P28482 1/20 0.58
MEN1 O00255 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP2C19 P33261 1/20 0.51
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
MAPT P10636 1/20 0.50
ADORA2A P29274 3/20 0.49
ADORA2B P29275 3/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL11826628 0.86 KMT2A (0.75) KMT2ARXFP1MAPK1MEN1L3MBTL1
SCHEMBL11828722 0.86 KMT2A (0.75) KMT2ARXFP1MAPK1MEN1L3MBTL1
SCHEMBL15003907 0.84 KMT2A (0.72) KMT2ARXFP1MAPK1MEN1L3MBTL1
SCHEMBL2403877 0.76 ADORA2B (0.69) KMT2ARXFP1MAPK1MEN1CYP2C19
SCHEMBL2704481 0.75 KMT2A (0.59) KMT2ARXFP1MAPK1MEN1L3MBTL1
SCHEMBL25220723 0.74 MAPK1 (1.00) KMT2ARXFP1MAPK1MEN1L3MBTL1
SCHEMBL21750507 0.74 KMT2A (0.57) KMT2ARXFP1MAPK1MEN1CYP2C19
SCHEMBL13082622 0.74 KMT2A (0.57) KMT2ARXFP1MEN1L3MBTL1CYP2C19
SCHEMBL17475359 0.73 KMT2A (0.58) KMT2ARXFP1MAPK1MEN1L3MBTL1
SCHEMBL22398941 0.73 KMT2A (0.58) KMT2ARXFP1MAPK1MEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 US disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 WO disclosed
WO-2018045464-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2018-03-15 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-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 KMT2A 1763/4885RXFP1 4704/4885MAPK1 3869/4885

“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.