SCHEMBL6170190

SCHEMBL6170190

CCOC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.69
ALDH1A1 P00352 6/20 0.69
HPGD P15428 4/20 0.69
HSD17B10 Q99714 4/20 0.69
L3MBTL1 Q9Y468 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.51
HCRTR1 O43613 2/20 0.50
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKN1 Q16512 1/20 0.48
PKN2 Q16513 1/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SIRT2 Q8IXJ6 3/20 0.47
SIRT1 Q96EB6 2/20 0.47

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
SCHEMBL6170198 0.90 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9620029 0.85 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL6169066 0.82 HCRTR1 (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL16598906 0.81 SMN1; SMN2 (0.61) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL7795891 0.80 HCRTR1 (0.53) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL11148656 0.80 HCRTR1 (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11824061 0.80 SIRT2 (0.56) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2923502 0.79 SMN1; SMN2 (0.78) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL12393020 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12393006 0.79 HRH3 (0.56) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233797-B1 MAP4K4 (HGK) INHIBITORS Sri int inc (US) 2019-05-08 EP disclosed
US-10000451-B2 MAP4K4 (HGK) inhibitors SRI INTERNATIONAL (US) 2018-06-19 US disclosed
US-20170320824-A1 MAP4K4 (HGK) Inhibitors SRI INTERNATIONAL (US) 2017-11-09 US disclosed
EP-3233797-A1 MAP4K4 (HGK) Inhibitors SRI International Inc. (US) 2017-10-25 EP disclosed
WO-2016114816-A1 MAP4K4 (HGK) Inhibitors SRI INTERNATIONAL (US) 2016-07-21 WO disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 KDM4E 2132/4885ALDH1A1 487/4885HPGD 223/4885
US-20170320824-A1 MAP4K4 (HGK) Inhibitors MAP4K4, MAP4K2, MAP4K3 KDM4E 971/4885ALDH1A1 2488/4885HPGD 1340/4885
US-10000451-B2 MAP4K4 (HGK) inhibitors MAP4K4, MAP4K2, MAP4K3 KDM4E 971/4885ALDH1A1 2488/4885HPGD 1340/4885

“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.