Sugi Predict

Sugi Predict / Compounds / SCHEMBL4907112

SCHEMBL4907112

SCHEMBL4907112

CCOC(=O)c1c(NC(=O)OC(C)(C)C)ccc(C)[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KCNQ4 P56696 2/20 0.39
▸ KCNQ5 Q9NR82 2/20 0.39
▸ GLA P06280 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL16183923 0.75 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ4
SCHEMBL27474401 0.74 SMN1; SMN2 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ4
SCHEMBL28493853 0.73 KDM4E (0.60) CYP1A2CYP2C19SMN1; SMN2KMT2AALDH1A1
SCHEMBL4908993 0.73 BRD4 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ4
SCHEMBL26745357 0.72 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL31478121 0.72 MEN1 (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ4
SCHEMBL31478177 0.72 MEN1 (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ4
SCHEMBL1008601 0.72 MAPT (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ4
SCHEMBL12911126 0.72 KCNQ4 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ4
SCHEMBL753526 0.72 PTGER4 (0.57) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ4

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
EP-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 — — EP disclosed
US-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2008-10-30 — — US disclosed
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 — — US disclosed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 — — 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-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES CNR2, CNR1, CHRNA2 CYP1A2 87/4885CYP2C9 298/4885CYP2C19 261/4885
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders GRM3, GRM2, GRM1 CYP1A2 902/4885CYP2C9 850/4885CYP2C19 584/4885

“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.