SCHEMBL3389945

SCHEMBL3389945

[CH2]c1cccc(-c2ncc(OC)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.54
DYRK1A Q13627 1/20 0.54
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2B6 P20813 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2A7 P20853 1/20 0.40
CYP3A7 P24462 1/20 0.40
CYP2F1 P24903 1/20 0.40
CYP2C18 P33260 1/20 0.40

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
SCHEMBL28810989 0.81 CLK4 (0.56) CLK4DYRK1ACYP1A2CYP2C9CYP3A4
SCHEMBL29786794 0.81 CLK4 (0.56) CLK4DYRK1ACYP1A2CYP2C9CYP3A4
SCHEMBL2221994 0.79 CLK4 (0.54) CLK4DYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL21228226 0.79 DYRK1A (0.54) CLK4DYRK1ACYP2C9CYP3A4ABL1
SCHEMBL29914718 0.79 DYRK1A (0.54) CLK4DYRK1ACYP2C9CYP3A4ABL1
SCHEMBL3387629 0.78 CLK4 (0.52) CLK4DYRK1APDGFRBPDGFRANPC1
SCHEMBL23498185 0.77 NPC1 (0.58) CLK4DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL4475475 0.76 CYP3A4 (0.57) CLK4DYRK1ACYP1A2CYP2C9CYP3A4
SCHEMBL22310395 0.76 FYN (0.51) CLK4DYRK1A
SCHEMBL22310401 0.76 CLK4 (0.50) CLK4DYRK1ACYP1A2CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207547-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-07-21 EP claimed
WO-2009045700-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2009-04-09 WO claimed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
EP-2207547-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045700-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2009-04-09 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-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 CLK4 4075/4885DYRK1A 4699/4885CYP1A2 1193/4885

“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.