SCHEMBL6520020

SCHEMBL6520020

CCOC(=O)c1nc(-c2ccccc2)[nH]c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 4/20 0.52
▸ HSD17B10 Q99714 7/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TARBP2 Q15633 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 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
SCHEMBL3459150 0.86 SIRT2 (0.57) HSD17B10KDM4ERAB9ATP53TARBP2
SCHEMBL27475261 0.86 PIN1 (0.68) PIN1HSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL28582964 0.84 TARBP2 (0.54) PIN1HSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL21374324 0.83 PIN1 (0.52) PIN1HSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL10712611 0.81 ALDH1A1 (0.58) PIN1HSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL15592594 0.80 HSD17B10 (0.56) PIN1HSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL28575489 0.80 DGAT1 (0.49) PIN1HSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL9115868 0.80 RNASEH1 (0.53) HSD17B10ALDH1A1KDM4ERAB9ATSHR
SCHEMBL12791595 0.79 MAPT (0.64) PIN1HSD17B10ALDH1A1KDM4EMAPK1
SCHEMBL6691823 0.77 PIN1 (0.56) PIN1HSD17B10ALDH1A1MAPK1MAPT

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
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

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 PIN1 604/4885HSD17B10 2549/4885ALDH1A1 1066/4885

“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.

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