SCHEMBL2625733

SCHEMBL2625733

FC(F)(F)Cn1cc2cccc(Br)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
PARP1 P09874 1/20 0.34
MAT2A P31153 1/20 0.33
HDAC9 Q9UKV0 3/20 0.32
ADORA1 P30542 1/20 0.31
PDE10A Q9Y233 2/20 0.31
GRM2 Q14416 3/20 0.31
STK17B O94768 1/20 0.31
CSF1R P07333 1/20 0.31
IKBKE Q14164 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ULK3 Q6PHR2 1/20 0.31
NUAK2 Q9H093 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31

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
SCHEMBL16240733 0.81 ELANE (0.34) PARP1MAT2AHDAC9PDE10ATIPARP
SCHEMBL4700240 0.78 GRM2 (0.44) BACE1PARP1GRM2
SCHEMBL27192246 0.77 MARK4 (0.33) MAT2ASTK17BCSF1RIKBKEAAK1
SCHEMBL31217246 0.75 MAT2A (0.32) MAT2ASTK17BCSF1RIKBKEAAK1
SCHEMBL27199310 0.75 NQO2 (0.39) PDE10ASTK17BCSF1RIKBKEAAK1
SCHEMBL1852926 0.75 GPR52 (0.52) PARP1ADORA1
SCHEMBL2625741 0.74 GRM2 (0.51) PARP1GRM2
SCHEMBL23320986 0.73 EPHX2 (0.47) BACE1PARP1TIPARP
SCHEMBL2625732 0.73 GRM2 (0.49) BACE1PARP1ADORA1GRM2
SCHEMBL31429234 0.73 PDE10A (0.40) MAT2AHDAC9PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
EP-2427453-B1 SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2013-07-17 EP disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
WO-2010145883-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-12-23 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-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A BACE1 1/4885ENPP3 177/4885ENPP1 230/4885

“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.