SCHEMBL1728467

SCHEMBL1728467

Cc1ccc2c(N=Cc3c(F)cccc3F)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PBRM1 Q86U86 2/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.35
CHAT P28329 1/20 0.35
NPC1 O15118 4/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 3/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL1728466 1.00 AURKA (0.40) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL1727874 0.77 ALDH1A1 (0.38) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL1727876 0.77 ALDH1A1 (0.38) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL1727837 0.76 AURKA (0.46) AURKAAURKBMEN1KMT2AALDH1A1
SCHEMBL1727839 0.76 AURKA (0.46) AURKAAURKBMEN1KMT2AALDH1A1
SCHEMBL30081460 0.76 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2170379 0.76 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1728103 0.76 ALDH1A1 (0.37) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL1728102 0.76 ALDH1A1 (0.37) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL12368040 0.75 ALDH1A1 (0.51) AURKAAURKBMEN1KMT2AALDH1A1

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 7 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
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
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
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 AURKA 3183/4885AURKB 2516/4885MEN1 3818/4885
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents IL1B, TNF, NFKBIA AURKA 2933/4885AURKB 2009/4885MEN1 3829/4885

“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.