SCHEMBL6775914

SCHEMBL6775914

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.37
DHODH Q02127 1/20 0.35
KLRK1 P26718 2/20 0.35
MICA Q29983 2/20 0.35
RAET1L Q5VY80 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
PARP1 P09874 2/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
EGFR P00533 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
KIT P10721 1/20 0.34
FLT1 P17948 1/20 0.34
EPHA2 P29317 1/20 0.34

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
SCHEMBL6775462 0.95 KIF11 (0.39) KIF11DHODHPTGDR2PARP1PLK4
SCHEMBL6781865 0.94 MAP2K4 (0.39) KIF11DHODHKLRK1MICARAET1L
SCHEMBL6776008 0.93 MAP4K4 (0.38) KIF11DHODHPTGDR2CHEK2MAP2K4
SCHEMBL6770619 0.91 PARP1 (0.35) KIF11PTGDR2PARP1CHEK2KDR
SCHEMBL6771095 0.90 NPBWR1 (0.34) KIF11KLRK1MICARAET1LPTGDR2
SCHEMBL6782059 0.89 SCN9A (0.39) KIF11EGFRKITKDRDYRK1A
SCHEMBL6775671 0.89 IDH2 (0.36) KIF11PTGDR2AURKACHEK2NTRK1
SCHEMBL6774768 0.89 PLG (0.43) KIF11ACRPLGPLAUPLAT
SCHEMBL31344596 0.88 RORC (0.35) PTGDR2PARP1FYNCSF1RKIT
SCHEMBL6776081 0.88 RORC (0.35) PTGDR2PARP1FYNCSF1RKIT

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 KIF11 2445/4885DHODH 1180/4885KLRK1 1979/4885

“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.