SCHEMBL3512294

SCHEMBL3512294

CC(O)c1cnc(NC(=O)C(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
KDR P35968 2/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
ABL1 P00519 3/20 0.36
ADORA1 P30542 2/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PYGL P06737 1/20 0.34
GRIN2B Q13224 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
SCHEMBL2645077 0.86 PYGL (0.46) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1445386 0.86 PYGL (0.46) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13294650 0.83 CNR2 (0.38) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13294675 0.83 CNR2 (0.38) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3294235 0.82 CNR2 (0.39) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3294231 0.82 CNR2 (0.39) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1445415 0.79 GRIN2B (0.36) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1445417 0.79 GRIN2B (0.36) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3294026 0.78 GRIN2B (0.36) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1445407 0.76 RAB9A (0.35) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 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 (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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC L3MBTL1 4317/4885CYP1A2 703/4885CYP3A4 1253/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR L3MBTL1 4654/4885CYP1A2 347/4885CYP3A4 675/4885

“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.