SCHEMBL17688042

SCHEMBL17688042

CN1CC(Oc2cncc(-c3ccnc(C=O)c3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ WNT1 P04628 1/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.36
▸ CTPS1 P17812 4/20 0.35
▸ PIM1 P11309 3/20 0.34
▸ PIM3 Q86V86 3/20 0.34
▸ PIM2 Q9P1W9 3/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ JAK3 P52333 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
SCHEMBL17687786 0.93 FFAR4 (0.40) FFAR4CTPS1JAK3
SCHEMBL19471735 0.93 FFAR4 (0.40) FFAR4CTPS1JAK3
SCHEMBL19471476 0.85 FFAR4 (0.39) DYRK1AGSK3BWNT1FFAR4PIM1
SCHEMBL19463821 0.84 KMO (0.40) DYRK1AFFAR4CTPS1PIM1PIM3
SCHEMBL17688084 0.81 FFAR4 (0.36) DYRK1AGSK3BWNT1FFAR4CTPS1
SCHEMBL17687824 0.79 FFAR4 (0.38) DYRK1AGSK3BWNT1FFAR4PIM1
SCHEMBL19471536 0.79 DYRK1A (0.35) DYRK1AGSK3BWNT1FFAR4CTPS1
SCHEMBL19471659 0.78 FFAR4 (0.42) FFAR4
SCHEMBL17687819 0.78 BTK (0.33) FFAR4PIM1PIM3PIM2BACE1
SCHEMBL17687807 0.75 FFAR4 (0.39) FFAR4PIM1PIM3PIM2TLR7

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 DYRK1A 1509/4885GSK3B 4291/4885WNT1 4488/4885

“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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