SCHEMBL2708620

SCHEMBL2708620

N#Cc1ccc(Cl)nc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
CYP11B2 P19099 3/20 0.37
CSNK1A1 P48729 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KHK P50053 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP8 P40818 2/20 0.33
USP7 Q93009 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP47 Q96K76 1/20 0.33

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
SCHEMBL286959 0.80 NPSR1 (0.42) RPS6KA5RPS6KA4TRPV4CYP11B2CSNK1A1
SCHEMBL30450356 0.79 KDM4E (0.39) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL7108696 0.79 KDM4E (0.39) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL30376853 0.79 ALDH1A1 (0.43) RPS6KA5RPS6KA4TRPV4CYP11B2CSNK1A1
SCHEMBL565602 0.79 ALDH1A1 (0.43) RPS6KA5RPS6KA4TRPV4CYP11B2CSNK1A1
SCHEMBL28018027 0.77 PIK3CD (0.38) CYP11B2CSNK1A1CLK4ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28870434 0.77 KDM4E (0.38) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL566120 0.76 CSNK1A1 (0.52) RPS6KA5RPS6KA4TRPV4CYP11B2CSNK1A1
SCHEMBL31078158 0.76 RPS6KA5 (0.38) RPS6KA5RPS6KA4TRPV4CYP11B2CSNK1A1
SCHEMBL18805561 0.76 TRPV4 (0.45) RPS6KA5RPS6KA4TRPV4CYP11B2CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170170419-A1 ORGANIC FLUORESCENT LUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE AU OPTRONICS CORPORATION (TW) 2017-06-15 US disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1950199-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2009-12-02 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

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 RPS6KA5 2022/4885RPS6KA4 1130/4885TRPV4 1098/4885
US-20170170419-A1 ORGANIC FLUORESCENT LUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE AOX1, EML4, IK RPS6KA5 3867/4885RPS6KA4 3995/4885TRPV4 165/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 RPS6KA5 2022/4885RPS6KA4 1130/4885TRPV4 1098/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 RPS6KA5 2207/4885RPS6KA4 1269/4885TRPV4 905/4885

“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.