SCHEMBL2060682

SCHEMBL2060682

Oc1ccccc1CC(Br)Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.54
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
HIF1A Q16665 2/20 0.48
TAAR1 Q96RJ0 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA12 O43570 7/20 0.45
CA2 P00918 7/20 0.45
IDO1 P14902 2/20 0.45
CA9 Q16790 5/20 0.43
MPO P05164 1/20 0.43
KEAP1 Q14145 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL4618539 0.85 HSPA5 (0.48) HSPA5CYP2D6TSHRHIF1ATAAR1
SCHEMBL8939979 0.82 HSPA5 (0.50) HSPA5CYP2D6TSHRHIF1ATAAR1
SCHEMBL4619740 0.81 HSPA5 (0.45) HSPA5CYP2D6TSHRHIF1ATAAR1
Formaldehyde SCHEMBL2787786 0.80 HSPA5 (0.43) HSPA5CYP2D6TSHRHIF1ATAAR1
SCHEMBL8931392 0.78 HSPA5 (0.56) HSPA5CYP2D6TSHRHIF1ATAAR1
SCHEMBL4618534 0.77 TAAR1 (0.54) HSPA5CYP2D6TSHRHIF1ATAAR1
SCHEMBL6368754 0.76 HSPA5 (0.54) HSPA5CYP2D6TSHRHIF1ATAAR1
SCHEMBL108067 0.76 GABRA1 (0.64) HSPA5CYP2D6TSHRHIF1ATAAR1
SCHEMBL11223294 0.76 HSPA5 (0.54) HSPA5CYP2D6TSHRHIF1ATAAR1
SCHEMBL3071437 0.76 HSPA5 (0.54) HSPA5CYP2D6TSHRHIF1ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327671-A1 FLAME RETARDANT LIQUID SOLUTION, POLYURETHANE FOAM-FORMING COMPOSITIONS, POLYURETHANE FOAM AND ARTICLES MADE THEREFROM ICL-IP AMERICA INC. 2018-11-15 US disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
EP-1893680-A1 FLAME RETARDANT COMPOSITION EXHIBITING SUPERIOR THERMAL STABILITY AND FLAME RETARDING PROPERTIES AND USE THEREOF ALBEMARLE CORPORATION (US) 2008-03-05 EP disclosed
US-20070018143-A1 Flame retardant composition exhibiting superior thermal stability and flame retarding properties and use thereof ALBEMARLE CORPORATION 2007-01-25 US disclosed
WO-2006132900-A1 FLAME RETARDANT COMPOSITION EXHIBITING SUPERIOR THERMAL STABILITY AND FLAME RETARDING PROPERTIES AND USE THEREOF ALBEMARLE CORPORATION (US) 2006-12-14 WO disclosed
EP-1627013-A2 STABILIZED FLAME RETARDANT ADDITIVES AND THEIR USE ALBEMARLE CORPORATION (US) 2006-02-22 EP disclosed
EP-1127917-B1 Flame-retardant thermoplastic resin composition AJINOMOTO KK (JP) 2005-11-30 EP disclosed
WO-2004104098-A2 STABILIZED FLAME RETARDANT ADDITIVES AND THEIR USE ALBEMARLE CORPORATION (US) 2004-12-02 WO disclosed
US-20040229982-A1 Stabilized flame retardant additives and their use GOOSSENS DANIELLE F (BE) 2004-11-18 US disclosed
US-6500889-B2 BROMINATED FLAME RETARDANT, DOLOMITE AND ONE OF: HYDROTALCITE, ZINC-SUBSTITUTED HYDROTALCITE, OR ZEOLITE; HEAT STABILIZING AJINOMOTO CO., INC. (JP) 2002-12-31 US disclosed
US-20010044488-A1 Flame-retarded thermoplastic resin composition AJINOMOTO CO. INC. (JP) 2001-11-22 US disclosed
EP-1127917-A1 Flame-retardant thermoplastic resin composition Ajinomoto Co., Inc. (JP) 2001-08-29 EP 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 (2 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET HSPA5 2819/4885CYP2D6 1017/4885TSHR 1728/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET HSPA5 2819/4885CYP2D6 1017/4885TSHR 1728/4885

“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.