SCHEMBL1336716

SCHEMBL1336716

Nc1cc(F)ccc1Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
GAA P10253 9/20 0.62
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 7/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
GFER P55789 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
THRB P10828 1/20 0.57
HDAC1 Q13547 3/20 0.54
MAPK14 Q16539 2/20 0.52
HDAC3 O15379 2/20 0.52
NCOR1 O75376 1/20 0.52

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
SCHEMBL11742148 0.85 MAPT (0.59) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL13937042 0.81 KDM4E (0.56) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL16657381 0.81 RAD52 (0.50) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8693690 0.80 MAPT (0.63) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8465011 0.80 MAPT (0.66) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL656253 0.80 GAA (0.69) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL13042657 0.80 RAB9A (0.59) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL27618345 0.80 MAPK14 (0.43) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL5084625 0.79 MAPT (0.67) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8430768 0.78 MAPT (0.56) MAPTGAAKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103476767-B Heterocyclic compounds as PI3 kinase inhibitors HOFFMANN LA ROCHE 2015-06-10 CN disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-8063230-B1 Tris(N-aryl benzimidazole)benzenes and their use in electronic devices E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
EP-1789050-A1 NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-05-30 EP disclosed
WO-2006016278-A1 NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2006-02-16 WO disclosed
US-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY, LLC 2006-02-09 US disclosed
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 EP disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014074-A1 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 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 (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-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 MAPT 837/4885GAA 2010/4885KDM4E 1317/4885
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 MAPT 1752/4885GAA 1526/4885KDM4E 4269/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPT 97/4885GAA 525/4885KDM4E 3015/4885

“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.