SCHEMBL2711168

SCHEMBL2711168

COc1ccc2c(O)cc(C(F)(F)F)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KDM4E B2RXH2 5/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ RET P07949 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FER P16591 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ PLK1 P53350 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
SCHEMBL2710723 0.88 NT5E (0.57) NT5EKMT2AALDH1A1MEN1KDM4E
SCHEMBL2711790 0.83 NT5E (0.51) NT5EKMT2AALDH1A1MEN1KDM4E
SCHEMBL9830225 0.82 NT5E (0.50) NT5EKMT2AALDH1A1MEN1KDM4E
SCHEMBL13728331 0.80 KMT2A (0.46) NT5EKMT2AALDH1A1MEN1KDM4E
SCHEMBL15685778 0.80 KDM4E (0.39) NT5EKMT2AALDH1A1MEN1KDM4E
SCHEMBL31055810 0.80 KDM4E (0.47) KMT2AALDH1A1MEN1KDM4EDYRK1A
SCHEMBL29029739 0.80 ADRB2 (0.45) NT5EALDH1A1KDM4EGAANR2F2
SCHEMBL19148578 0.79 NT5E (0.48) NT5EKMT2AALDH1A1MEN1KDM4E
SCHEMBL9830025 0.78 NT5E (0.50) NT5EKMT2AALDH1A1MEN1KDM4E
SCHEMBL11133397 0.78 KDM4E (0.49) NT5EKMT2AMEN1KDM4EMAP4K4

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
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
EP-0096214-B1 ANTIBACTERIAL PYRIMIDINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-02-27 — — EP disclosed
EP-0096214-A1 Antibacterial pyrimidine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-12-21 — — 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 (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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 NT5E 1422/4885KMT2A 2648/4885ALDH1A1 229/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 NT5E 1422/4885KMT2A 2648/4885ALDH1A1 229/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 NT5E 1718/4885KMT2A 2673/4885ALDH1A1 118/4885

“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.

Send feedback