SCHEMBL1726628

SCHEMBL1726628

COc1c(Cl)ccc(C=Nc2cccc3nc(C)ccc23)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RX7 Q99572 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL1726627 1.00 ALDH1A1 (0.37) ALDH1A1AURKAAURKBHTR1DHTR1B
SCHEMBL4609144 0.91 ALDH1A1 (0.37) ALDH1A1AURKAAURKBHTR1DHTR1B
SCHEMBL4609145 0.91 ALDH1A1 (0.37) ALDH1A1AURKAAURKBHTR1DHTR1B
SCHEMBL1727876 0.89 ALDH1A1 (0.38) ALDH1A1AURKAAURKBSMN1; SMN2RXFP1
SCHEMBL1727874 0.89 ALDH1A1 (0.38) ALDH1A1AURKAAURKBSMN1; SMN2RXFP1
SCHEMBL1728143 0.82 NR3C1 (0.42) ALDH1A1AURKAAURKBSMN1; SMN2POLB
SCHEMBL1728141 0.82 NR3C1 (0.42) ALDH1A1AURKAAURKBSMN1; SMN2POLB
SCHEMBL1728103 0.80 ALDH1A1 (0.37) ALDH1A1AURKAAURKBSMN1; SMN2RXFP1
SCHEMBL1728102 0.80 ALDH1A1 (0.37) ALDH1A1AURKAAURKBSMN1; SMN2RXFP1
SCHEMBL1728372 0.76 GAA (0.49) ALDH1A1AURKAAURKBSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461346-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-11 US disclosed
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents ASTRAZENECA AB (SE) 2012-11-15 US disclosed
WO-2012025578-A3 AN APPLICATOR FOR APPLYING A COSMETIC COMPOSITION AND A COSMETIC PACKAGING INCLUDING SUCH AN APPLICATOR ALBEA SERVICES (FR) 2012-05-10 WO disclosed
US-8173676-B2 Benzyl, amines, a process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-05-08 US disclosed
EP-2041069-B1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2011-11-30 EP disclosed
US-7999108-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AG (DE) 2011-08-16 US disclosed
EP-2041069-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-01 EP disclosed
US-20080032986-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-07 US disclosed
WO-2008006627-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-01-17 WO disclosed
EP-1878717-A1 Benzyl amines, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-16 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-20080032986-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS IL1B, BBOX1, TNF ALDH1A1 294/4885AURKA 3183/4885AURKB 2516/4885
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents IL1B, TNF, NFKBIA ALDH1A1 369/4885AURKA 2933/4885AURKB 2009/4885

“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.