SCHEMBL3597728

SCHEMBL3597728

COc1cc(N)ccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NR4A1 P22736 1/20 0.47
ALDH1A1 P00352 6/20 0.46
USP2 O75604 1/20 0.46
CYP19A1 P11511 3/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL3544080 0.92 KDM4E (0.49) MAPTKDM4EGAATSHRMAPK1
SCHEMBL30038200 0.92 KDM4E (0.49) MAPTKDM4EGAATSHRMAPK1
SCHEMBL9367414 0.88 GAA (0.40) MAPTKDM4EGAATSHRMAPK1
SCHEMBL20681623 0.87 MAPT (0.51) MAPTKDM4EGAATSHRMAPK1
SCHEMBL77823 0.81 KDM4E (0.67) MAPTKDM4EGAATSHRMAPK1
SCHEMBL29377777 0.81 KDM4E (0.67) MAPTKDM4EGAATSHRMAPK1
SCHEMBL2438047 0.81 KDM4E (0.67) MAPTKDM4EGAATSHRMAPK1
Methane SCHEMBL27340305 0.79 KDM4E (0.64) MAPTKDM4EGAATSHRMAPK1
Ammonia Solution, Strong SCHEMBL5361377 0.79 KDM4E (0.64) MAPTKDM4EGAATSHRMAPK1
Hydrochloric Acid SCHEMBL2479850 0.79 MAPT (0.70) MAPTKDM4EGAATSHRMAPK1

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-20210163448-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF AXL/MER RTK AND CSF1R QURIENT CO., LTD. (KR) 2021-06-03 US disclosed
US-10786484-B2 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors Janssen Pharmaceuticals, Inc. (US) 2020-09-29 US disclosed
US-8293916-B2 Diazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100048569-A1 DIAZOLE DERIVATIVES BUETTELMANN BERND 2010-02-25 US disclosed
EP-1756086-B1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
EP-1756086-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
EP-0788491-B1 6-POLYFLUOROALKOXY AND 6-POLYFLUOROALKYL-2-AMINOBENZOTHIAZOLE DERIVATIVES RHONE POULENC RORER SA (FR) 1999-12-01 EP disclosed
US-5795903-A 6-polyfluoroalkoxy-and 6-polyfluoroalkyl-2-aminobenzothiazole derivatives RHONE-POULENC RORER S.A. (FR) 1998-08-18 US disclosed
EP-0788491-A1 6-POLYFLUOROALKOXY AND 6-POLYFLUOROALKYL-2-AMINOBENZOTHIAZOLE DERIVATIVES Aventis Pharma S.A. (FR) 1997-08-13 EP disclosed
WO-1996013492-A1 6-POLYFLUOROALKOXY AND 6-POLYFLUOROALKYL-2-AMINOBENZOTHIAZOLE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-05-09 WO 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-10786484-B2 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors IDO1, IDO2, IRF3 MAPT 2171/4885KDM4E 697/4885GAA 3499/4885
US-20100048569-A1 DIAZOLE DERIVATIVES GRM1, GRM2, GRIN2B MAPT 1397/4885KDM4E 2704/4885GAA 1279/4885
US-20060030559-A1 Diazole derivatives GRM1, GRM2, GRIN2B MAPT 1397/4885KDM4E 2704/4885GAA 1279/4885
US-20210163448-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF AXL/MER RTK AND CSF1R CSF1R, CSF3R, FLT3 MAPT 341/4885KDM4E 1909/4885GAA 1918/4885

“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.