SCHEMBL76961

SCHEMBL76961

CSc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.78
MAPT P10636 5/20 0.66
TDP1 Q9NUW8 2/20 0.66
POLB P06746 2/20 0.66
HTT P42858 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
KEAP1 Q14145 1/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
PKM P14618 1/20 0.57
CA2 P00918 2/20 0.56
CA5A P35218 1/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
DYRK1A Q13627 1/20 0.56
CYP1A2 P05177 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL2708797 0.88 PDK1 (0.60) PDK1MAPTTDP1POLBHTT
SCHEMBL10667967 0.88 PDK1 (1.00) PDK1MAPTTDP1POLBHTT
SCHEMBL10427924 0.85 PDK1 (0.78) PDK1MAPTTDP1POLBHTT
SCHEMBL10667970 0.85 PDK1 (0.78) PDK1MAPTTDP1POLBHTT
SCHEMBL9389906 0.80 PDK1 (0.70) PDK1MAPTTDP1POLBHTT
SCHEMBL8043567 0.80 PDK1 (0.65) PDK1MAPTTDP1POLBHTT
SCHEMBL6511185 0.80 MAPT (0.52) PDK1MAPTTDP1POLBHTT
SCHEMBL3244369 0.80 SMN1; SMN2 (1.00) PDK1MAPTTDP1POLBHTT
SCHEMBL14959213 0.79 PDK1 (0.68) PDK1MAPTTDP1HTTSMN1; SMN2
SCHEMBL10763070 0.79 PDK1 (0.68) PDK1MAPTTDP1POLBHTT

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 25 patents — showing the first 20. 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
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
EP-2346856-A1 2-[1H-BENZIMIDAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AND 2-[BENZOTHIAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AS KINASE INHIBITORS Telik, Inc. (US) 2011-07-27 EP disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 WO 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-7166715-B2 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds APPLERA CORPORATION (US) 2007-01-23 US disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
US-20030207305-A1 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds APPLERA CORPORATION (US) 2003-11-06 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP disclosed
US-6541618-B1 Detecting hybrids APPLERA CORPORATION 2003-04-01 US disclosed
US-6348596-B1 NUCLEIC ACID HYBRIDIZATION ASSAYS; DNA SEQUENCE DETERMINATION PE CORPORATION (NY) 2002-02-19 US disclosed
EP-1049744-B1 ASYMMETRIC CYANINE DYE QUENCHERS PE CORP NY (US) 2002-01-23 EP disclosed
EP-1049744-A1 ASYMMETRIC CYANINE DYE QUENCHERS PE Corporation (NY) (US) 2000-11-08 EP disclosed
US-6080868-A AS A QUENCHER IN A REPORTER-QUENCHER ENERGY-TRANSFER DYE PAIR FOR NUCLEIC ACID HYBRIDIZATION ASSAYS THE PERKIN-ELMER CORPORATION (US) 2000-06-27 US disclosed
WO-1999037717-A1 ASYMMETRIC CYANINE DYE QUENCHERS THE PERKIN-ELMER CORPORATION (US) 1999-07-29 WO disclosed
US-3985762-A REACTING 2-ALKYLMERCAPTOBENZTHIAZOLES WITH NITRIC ACID IN SULFURIC ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-12 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 (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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 PDK1 374/4885MAPT 3439/4885TDP1 2748/4885
US-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PDK1 62/4885MAPT 3343/4885TDP1 1960/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 PDK1 56/4885MAPT 3585/4885TDP1 1115/4885
US-20030207305-A1 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds NSUN3, NSUN2, NCL PDK1 4491/4885MAPT 4395/4885TDP1 98/4885

“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.