Sugi Predict

Sugi Predict / Compounds / SCHEMBL744616

SCHEMBL744616

SCHEMBL744616

COc1ccc2c(Cl)nc(C)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ NCF1 P14598 1/20 0.39

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
SCHEMBL7716192 0.86 SLC2A1 (0.47) DYRK1ANPSR1SLC2A1ALDH1A1HPGD
SCHEMBL1317788 0.84 ALDH1A1 (0.45) DYRK1AALDH1A1HPGDKDM4EPOLB
SCHEMBL29773811 0.84 ALDH1A1 (0.45) DYRK1AALDH1A1HPGDKDM4EPOLB
SCHEMBL1071371 0.82 CYP1A2 (0.42) DYRK1AALDH1A1HPGDKDM4EPOLB
SCHEMBL8185328 0.82 L3MBTL1 (0.49) DYRK1AALDH1A1HPGDKDM4EPOLB
SCHEMBL3036577 0.81 KDM4E (0.42) DYRK1ANPSR1ALDH1A1HPGDKDM4E
SCHEMBL8185714 0.79 APP (0.40) DYRK1AALDH1A1HPGDKDM4ECYP1A2
SCHEMBL7146227 0.79 NQO2 (0.46) DYRK1ANPSR1ALDH1A1HPGDKDM4E
SCHEMBL7177203 0.79 KDM4E (0.46) DYRK1ANPSR1ALDH1A1HPGDKDM4E
SCHEMBL4763766 0.78 NPC1 (0.55) DYRK1AALDH1A1HPGDKDM4ESMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 — — EP disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 — — EP disclosed
US-20100266537-A1 HCV INHIBITORS VIROBAY, INC. (US) 2010-10-21 — — US disclosed
US-20100266537-A1 HCV INHIBITORS VIROBAY, INC. (US) 2010-10-21 — — US disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — WO disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — WO disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — US disclosed
EP-1906945-A4 HCV INHIBITORS VIROBAY INC (US) 2009-07-15 — — EP disclosed
EP-1906945-A2 HCV INHIBITORS Virobay, Inc. (US) 2008-04-09 — — EP disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 — — WO disclosed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 — — WO 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 (3 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-20100266537-A1 HCV INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1 DYRK1A 4695/4885NPSR1 3890/4885SLC2A1 3994/4885
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections HAVCR2, EIF2AK2, GTF3C1 DYRK1A 3823/4885NPSR1 4361/4885SLC2A1 4502/4885
US-20090203629-A1 INHIBITORS OF CATHEPSIN B CTSB, CSTB, CTSF DYRK1A 4879/4885NPSR1 1403/4885SLC2A1 309/4885

“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.