SCHEMBL2709780

SCHEMBL2709780

COc1ccc2nc(C(F)(F)F)cc(Cl)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.60
▸ ABCC8 Q09428 1/20 0.48
▸ KCNJ11 Q14654 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL2711790 0.88 NT5E (0.51) NT5ETP53SMN1; SMN2MAPTNPSR1
SCHEMBL9494556 0.88 SMN1; SMN2 (0.47) NT5ETP53SMN1; SMN2MAPTNPSR1
SCHEMBL2855628 0.84 NT5E (0.60) NT5ETP53SMN1; SMN2KDM4EUSP2
SCHEMBL30460713 0.84 NT5E (0.58) NT5EABCC8KCNJ11SMN1; SMN2MAPT
SCHEMBL25245924 0.84 NT5E (0.58) NT5EABCC8KCNJ11SMN1; SMN2MAPT
SCHEMBL15488469 0.83 NT5E (0.57) NT5EABCC8KCNJ11SMN1; SMN2MAPT
SCHEMBL2710723 0.83 NT5E (0.57) NT5EABCC8KCNJ11SMN1; SMN2MAPT
SCHEMBL26406959 0.83 NT5E (0.57) NT5EABCC8KCNJ11MAPTNPSR1
SCHEMBL19150076 0.81 NT5E (0.54) NT5EABCC8KCNJ11TP53SMN1; SMN2
SCHEMBL830265 0.80 SMN1; SMN2 (0.48) TP53SMN1; SMN2ALDH1A1KMT2AMEN1

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-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 — — US 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 — — US disclosed
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 — — CN 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-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 — — US disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 — — CN disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 — — EP disclosed
EP-0317188-B1 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1995-09-27 — — EP disclosed
US-5114940-A Insecticides or anthelmintics from fused ring heterocycles containing amides or thioamides ROUSSEL-UCLAF (FR) 1992-05-19 — — US disclosed
EP-0317188-A2 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1989-05-24 — — EP disclosed
US-4014877-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1977-03-29 — — US disclosed
US-4001243-A ANTI-MICROBIAL RIKER LABORATORIES, INC. (US) 1977-01-04 — — US disclosed
US-3985882-A ADMISTERING RIKER LABORATORIES, INC. (US) 1976-10-12 — — US disclosed
US-3969463-A MICROBIOCIDE RIKER LABORATORIES, INC. (US) 1976-07-13 — — 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 (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 1422/4885ABCC8 1375/4885KCNJ11 4058/4885
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 NT5E 1375/4885ABCC8 336/4885KCNJ11 1448/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 NT5E 1718/4885ABCC8 1580/4885KCNJ11 3531/4885

“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.

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