SCHEMBL6771095

SCHEMBL6771095

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccc(-c2ccoc2)cc1-c1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.34
KIF11 P52732 1/20 0.32
BRAF P15056 1/20 0.32
KLRK1 P26718 1/20 0.32
MICA Q29983 1/20 0.32
RAET1L Q5VY80 1/20 0.32
FYN P06241 2/20 0.31
CSF1R P07333 2/20 0.31
KIT P10721 2/20 0.31
FLT1 P17948 2/20 0.31
KDR P35968 2/20 0.31
FLT3 P36888 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ELANE P08246 1/20 0.30
GRK6 P43250 1/20 0.30
GRM5 P41594 1/20 0.30
PLK4 O00444 1/20 0.30

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
SCHEMBL6775914 0.90 KIF11 (0.37) KIF11KLRK1MICARAET1LFYN
SCHEMBL6775462 0.89 KIF11 (0.39) KIF11FYNCSF1RKITFLT1
SCHEMBL6781865 0.88 MAP2K4 (0.39) KIF11KLRK1MICARAET1LFYN
SCHEMBL6776008 0.87 MAP4K4 (0.38) KIF11PTGDR2MEN1KMT2ACHEK2
SCHEMBL6770619 0.87 PARP1 (0.35) KIF11KDRPTGDR2PARP1GRK6
SCHEMBL6775671 0.85 IDH2 (0.36) KIF11PTGDR2AURKACHEK2NTRK1
SCHEMBL6782059 0.85 SCN9A (0.39) KIF11KITKDRMEN1KMT2A
SCHEMBL6776081 0.84 RORC (0.35) FYNCSF1RKITFLT1KDR
SCHEMBL31344596 0.84 RORC (0.35) FYNCSF1RKITFLT1KDR
SCHEMBL6771253 0.84 KEAP1 (0.39) KIF11MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP claimed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 US claimed
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
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 US disclosed
EP-0977741-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-02-09 EP disclosed
WO-1998047879-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-10-29 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 (1 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-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 NPBWR1 1578/4885KIF11 2445/4885BRAF 2287/4885

“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.