SCHEMBL2845284

SCHEMBL2845284

Cc1cc(-c2c(F)cccc2Br)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.42
PTGS1 P23219 4/20 0.42
ACHE P22303 1/20 0.39
DAPK3 O43293 2/20 0.37
NTRK1 P04629 2/20 0.37
PIM1 P11309 2/20 0.37
FLT3 P36888 2/20 0.37
GSK3B P49841 2/20 0.37
ROCK1 Q13464 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
AURKA O14965 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL1865690 0.80 CSNK1E (0.43) ACHERPS6KA3NPC1CASP3RAB9A
SCHEMBL4919253 0.79 TTR (0.40) PTGS2PTGS1ACHEMEN1NPC1
SCHEMBL30507311 0.79 PTGS2 (0.47) PTGS2PTGS1ACHEDAPK3NTRK1
SCHEMBL3570521 0.76 CHRM1 (0.40) IKBKENPC1CASP3RAB9ASENP8
SCHEMBL26444492 0.76 CA12 (0.37) PTGS2PTGS1ACHELRRK2MEN1
SCHEMBL4302188 0.76 TAAR1 (0.42) ACHEMEN1KMT2A
SCHEMBL22238791 0.74 CRHBP (0.39) MEN1KMT2AALDH1A1TTRCYP3A4
SCHEMBL5423580 0.74 GRIA1 (0.44) PTGS2PTGS1DAPK3NTRK1PIM1
SCHEMBL2850934 0.74 ACHE (0.39) PTGS2PTGS1ACHENPC1RAB9A
SCHEMBL27277437 0.72 CYP1A2 (0.45) ALDH1A1TTRCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (5 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 PTGS2 2024/4885PTGS1 636/4885ACHE 221/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 PTGS2 2207/4885PTGS1 857/4885ACHE 223/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 PTGS2 2212/4885PTGS1 640/4885ACHE 254/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 PTGS2 2317/4885PTGS1 1018/4885ACHE 233/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP PTGS2 3080/4885PTGS1 2066/4885ACHE 262/4885

“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.