SCHEMBL18151024

SCHEMBL18151024

O=C1COCC2(COc3ccccc32)N1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
GSK3A P49840 1/20 0.33
P2RX7 Q99572 1/20 0.32
DAO P14920 1/20 0.32
PDE7A Q13946 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL18150915 0.87 KMT2A (0.36) ALDH1A1
SCHEMBL18151048 0.81 TSHR (0.37) ALDH1A1P2RX7PDE7A
SCHEMBL30016514 0.80 BACE1 (0.36) MMP12
SCHEMBL30297515 0.75 TSHR (0.36) ALDH1A1PDE7A
SCHEMBL742364 0.74 TSHR (0.48) ALDH1A1
SCHEMBL30297495 0.72 NPSR1 (0.35) ALDH1A1TNKSTNKS2GSK3A
SCHEMBL18150783 0.68
SCHEMBL30297494 0.68 TSHR (0.41) ALDH1A1TNKSTNKS2PDE7A
SCHEMBL5032913 0.65 PGR (0.40) ALDH1A1PDE7A
SCHEMBL30297506 0.65 TSHR (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885TNKS 662/4885TNKS2 986/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885TNKS 662/4885TNKS2 986/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885TNKS 662/4885TNKS2 986/4885

“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.