SCHEMBL3374488

SCHEMBL3374488

COc1ccc2ncc(F)c(C=Cc3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
NFE2L2 Q16236 5/20 0.40
GRM4 Q14833 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPA1 O75762 2/20 0.37
RELA Q04206 1/20 0.37
CHEK1 O14757 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PRKDC P78527 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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
SCHEMBL3374487 1.00 PDGFRB (0.44) PDGFRBPDGFRANFE2L2GRM4NPC1
SCHEMBL3606970 0.81 SLC2A1 (0.38) NPC1RAB9AKCNH2
SCHEMBL3606967 0.81 SLC2A1 (0.38) NPC1RAB9AKCNH2
SCHEMBL592158 0.80 ERN1 (0.41) KCNH2
SCHEMBL592871 0.80 KCNH2 (0.38) KCNH2
SCHEMBL3255263 0.76 TRPA1 (0.44) PDGFRBPDGFRANFE2L2GRM4TRPA1
SCHEMBL3255262 0.76 TRPA1 (0.44) PDGFRBPDGFRANFE2L2GRM4TRPA1
SCHEMBL591038 0.74 FDPS (0.41) CYP1A2KCNH2
SCHEMBL591037 0.74 FDPS (0.41) CYP1A2KCNH2
SCHEMBL14126236 0.73 KCNH2 (0.39) KCNH2

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-2012040321-A3 METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2012-05-10 WO disclosed
EP-1981881-B1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-07 EP disclosed
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 US disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1996579-A2 ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-03 EP disclosed
EP-1987040-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-11-05 EP disclosed
EP-1981881-A1 TETRAHYDROPYRANE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2007105154-A2 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 WO disclosed
WO-2007086016-A1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 PDGFRB 3877/4885PDGFRA 3584/4885NFE2L2 874/4885

“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.