SCHEMBL2167740

SCHEMBL2167740

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.57
AR P10275 4/20 0.45
HDAC2 Q92769 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PGR P06401 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
AGXT P21549 1/20 0.40
PRKACA P17612 2/20 0.39
PRKACG P22612 2/20 0.39
PRKACB P22694 2/20 0.39

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
SCHEMBL6780932 0.86 KIF11 (0.55) KIF11ARHDAC2CYP11B1CYP11B2
SCHEMBL165877 0.85 ALOX5AP (0.44) KIF11ARKDM4EMEN1ALDH1A1
SCHEMBL29646422 0.85 ALOX5AP (0.44) KIF11ARKDM4EMEN1ALDH1A1
SCHEMBL3583832 0.85 KDM4E (0.49) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL5072719 0.83 TDP1 (0.48) ARCYP11B1CYP11B2KDM4EMEN1
SCHEMBL16894268 0.81 KIF11 (0.56) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL3574934 0.80 CYP11B1 (0.50) HDAC2CYP11B1CYP11B2KDM4EMEN1
SCHEMBL31037588 0.80 CYP3A4 (0.46) KIF11ARCYP11B1CYP11B2KDM4E
SCHEMBL29938879 0.79 AR (0.49) KIF11AR
SCHEMBL4595988 0.79 KIF11 (0.50) KIF11ARCYP11B1CYP11B2KDM4E

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985761-B2 Diphenylurea derivatives and their use as chloride channel blockers or BKCa channel modulators NEUROSEARCH A/S (DK) 2011-07-26 US disclosed
US-7985761-B2 Diphenylurea derivatives and their use as chloride channel blockers or BKCa channel modulators NEUROSEARCH A/S (DK) 2011-07-26 US disclosed
US-7985761-B2 Diphenylurea derivatives and their use as chloride channel blockers or BKCa channel modulators NEUROSEARCH A/S (DK) 2011-07-26 US disclosed
US-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-7691891-B2 Diphenylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2010-04-06 US disclosed
EP-2125790-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-12-02 EP disclosed
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20090018172-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS OR BKCa CHANNEL MODULATORS ANIONA APS (DK) 2009-01-15 US disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 WO disclosed
WO-2005060692-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO disclosed
EP-1514867-A2 Substituted phenyl derivatives, their preparation and use NeuroSearch A/S (DK) 2005-03-16 EP disclosed
WO-2004111017-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-12-23 WO disclosed
US-6706749-B2 CHLORIDE CHANNEL BLOCKERS; USEFUL IN THE TREATMENT OF SICKLE CELL ANAEMIA, BRAIN EDEMA FOLLOWING ISCAEMIA OR TUMORS, DIARRHEA, HYPERTENSION, BONE METABOLIC DISORDERS, OSTEOCLAST ASSOCIATED DISODERS; SUBSTITUTED BIPHENYL CONTAINING NITROGEN NEUROSEARCH A/S (DK) 2004-03-16 US disclosed
US-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-20020032210-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-14 US disclosed
EP-1123274-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-08-16 EP disclosed
WO-2000024707-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-05-04 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-20020032210-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNB2, KCNH2 KIF11 2201/4885AR 2533/4885HDAC2 928/4885
US-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNN3, KCNN2 KIF11 1089/4885AR 4405/4885HDAC2 550/4885
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 KIF11 2445/4885AR 2580/4885HDAC2 909/4885
US-20090018172-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS OR BKCa CHANNEL MODULATORS KCNB1, KCNB2, KCNMB4 KIF11 2475/4885AR 4478/4885HDAC2 3079/4885

“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.