SCHEMBL19471673

SCHEMBL19471673

O=Cc1cc(-c2cccc(Cl)n2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ KMO O15229 3/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ NFE2L2 Q16236 3/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ CNR2 P34972 1/20 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
SCHEMBL17687914 0.80 CYP11B2 (0.43) CYP19A1IDO1ERN1
SCHEMBL19762806 0.80 IDO1 (0.50) JAK2KMOGSK3BPLK1HSD17B1
SCHEMBL28778071 0.76 MAP4K4 (0.49) KMONFE2L2PLK1CYP19A1IDO1
SCHEMBL7609085 0.75 ERN1 (0.38) KMOCYP3A4ERN1
SCHEMBL27751607 0.71 MAP4K4 (0.46) JAK2KMOGSK3BNFE2L2CYP3A4
SCHEMBL27772385 0.71 CYP2A6 (0.42) JAK2NFE2L2ERN1
SCHEMBL25392607 0.71 KMO (0.38) KMOIDO1
SCHEMBL31282190 0.71 KMO (0.38) KMOIDO1
SCHEMBL2084619 0.71 EGFR (0.45) ERN1
SCHEMBL29935212 0.71 EGFR (0.45) ERN1

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 3 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

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 JAK2 2268/4885KMO 1572/4885GSK3B 4291/4885

“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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