SCHEMBL6526404

SCHEMBL6526404

CC(C)(C)OC(=O)Nc1oc(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
PSMB8 P28062 1/20 0.44
TARBP2 Q15633 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 4/20 0.43
KMT2A Q03164 2/20 0.43
IKBKB O14920 1/20 0.42
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
DGAT1 O75907 3/20 0.41
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL14148637 0.86 KDR (0.53) KDM4EALDH1A1HPGDPSMB8SMN1; SMN2
SCHEMBL362443 0.78 CA1 (0.36) ALDH1A1PSMB8GAAKMT2ARAB9A
SCHEMBL5550873 0.78 IKBKB (0.55) KDM4EALDH1A1HSD17B10HPGDTARBP2
SCHEMBL18039335 0.75 TARBP2 (0.48) KDM4EALDH1A1HSD17B10HPGDTARBP2
SCHEMBL13398657 0.74 LCK (0.48) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL31688013 0.73 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10HPGDTARBP2
SCHEMBL2521682 0.72 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL17210450 0.72 BRD9 (0.45) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL6522762 0.72 PIN1 (0.52) ALDH1A1GAAKMT2ARAB9AMAPK1
SCHEMBL6385812 0.70 PPARA (0.57) KDM4EHPGDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475659-B1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-10-28 EP disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
EP-2475659-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 US disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 US disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 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 (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-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 KDM4E 309/4885ALDH1A1 1066/4885HSD17B10 2549/4885

“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.