SCHEMBL17687787

SCHEMBL17687787

COC(OC)c1cncc(-c2cncc(OC3CN(C)C3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.34
▸ FFAR4 Q5NUL3 3/20 0.34
▸ BACE1 P56817 3/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ CYP11B2 P19099 3/20 0.31
▸ CYP11B1 P15538 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31

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
SCHEMBL17688072 0.81 GSK3B (0.33) TLR7FFAR4TLR9TLR8PIM1
SCHEMBL17687824 0.78 FFAR4 (0.38) TLR7FFAR4BACE1PIM1PIM3
SCHEMBL17687832 0.71 FFAR4 (0.42) TLR7FFAR4
SCHEMBL19471844 0.71 FFAR4 (0.42) TLR7FFAR4
SCHEMBL17687962 0.70 CYP11B2 (0.39) CYP11B2CYP11B1
SCHEMBL17688042 0.70 DYRK1A (0.38) TLR7FFAR4BACE1PIM1PIM3
SCHEMBL19471536 0.69 DYRK1A (0.35) TLR7FFAR4BACE1PIM1PIM3
SCHEMBL9965911 0.68 CHRNB2 (0.33) TLR7CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19471546 0.68 TLR9 (0.34) TLR7TLR9TLR8PIM1PIM3
SCHEMBL19464139 0.66 KMO (0.33) PIM1PIM3PIM2

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-3207042-B1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-03 — — EP disclosed
US-9850256-B2 Antibacterial basic biaromatic derivatives with aminoalkoxy substitution IDORSIA PHARMACEUTICALS LTD (CH) 2017-12-26 — — US disclosed
US-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
EP-3207042-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION Idorsia Pharmaceuticals Ltd (CH) 2017-08-23 — — EP disclosed
WO-2016059097-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION ACTELION PHARMACEUTICALS LTD (CH) 2016-04-21 — — 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-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION RPSA, RPL4, RPS4Y1 TLR7 1315/4885FFAR4 912/4885BACE1 4186/4885

“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.

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