SCHEMBL11992012

SCHEMBL11992012

CC(O)c1cccnc1NC(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL12310822 0.89 L3MBTL1 (0.57) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL18885189 0.84 ALDH1A1 (0.53) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL17980699 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3410603 0.82 L3MBTL1 (0.60) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL29048377 0.82 ALDH1A1 (0.51) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21847327 0.80 ALDH1A1 (0.64) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4303760 0.80 ALDH1A1 (0.52) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2270851 0.80 ALDH1A1 (0.67) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8613491 0.80 L3MBTL1 (0.53) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL17980670 0.78 L3MBTL1 (0.50) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 L3MBTL1 3906/4885ALDH1A1 150/4885CYP1A2 94/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 L3MBTL1 3906/4885ALDH1A1 150/4885CYP1A2 94/4885

“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.