SCHEMBL2712166

SCHEMBL2712166

N#Cc1ccc2nc(O)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.62
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
CSNK1D P48730 7/20 0.54
CSNK1A1 P48729 5/20 0.54
CSNK1G2 P78368 5/20 0.54
GSK3B P49841 4/20 0.54
METAP2 P50579 1/20 0.52
METAP1 P53582 1/20 0.52
CHEK2 O96017 1/20 0.49
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
CFB P00751 2/20 0.45
SCN10A Q9Y5Y9 1/20 0.44
PSMB8 P28062 1/20 0.44
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL2712161 0.86 PIN1 (0.46) PIN1PKN1PKN2CSNK1DCSNK1A1
SCHEMBL22219469 0.79 PIN1 (0.58) PIN1PKN1PKN2CSNK1DCSNK1A1
SCHEMBL7792028 0.79 PIN1 (0.58) PIN1PKN1PKN2CSNK1DCSNK1A1
SCHEMBL1245514 0.79 PIN1 (0.58) PIN1PKN1PKN2CSNK1DCSNK1A1
SCHEMBL1793328 0.79 PIN1 (0.58) PIN1PKN1PKN2CSNK1DCSNK1A1
SCHEMBL29439000 0.79 CSNK1D (0.61) PIN1PKN1PKN2CSNK1DCSNK1A1
SCHEMBL12430878 0.79 CSNK1D (0.61) PIN1PKN1PKN2CSNK1DCSNK1A1
SCHEMBL7653726 0.78 TDP1 (0.59) PIN1PKN1PKN2CSNK1DCSNK1A1
Hydrochloric Acid SCHEMBL14690440 0.77 PIN1 (0.56) PIN1PKN1PKN2CSNK1DCSNK1A1
SCHEMBL20982510 0.77 PKN1 (0.82) PIN1PKN1PKN2CSNK1DCSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP disclosed
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 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 (4 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PIN1 19/4885PKN1 2632/4885PKN2 2989/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PIN1 19/4885PKN1 2632/4885PKN2 2989/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 PIN1 20/4885PKN1 2057/4885PKN2 2958/4885
US-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B PIN1 1184/4885PKN1 1017/4885PKN2 2535/4885

“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.