SCHEMBL18159818

SCHEMBL18159818

O=S(=O)(c1ccc(-c2ccc3nc4n(c3c2)C(c2ccccc2)CC4)cc1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 3/20 0.52
POLB P06746 3/20 0.52
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
JAK2 O60674 1/20 0.42
LMNA P02545 4/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 3/20 0.41
METAP2 P50579 1/20 0.41
ALOX15 P16050 2/20 0.40
CASP1 P29466 2/20 0.40
ABL1 P00519 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
SCHEMBL18150867 0.83 RIPK1 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL18151008 0.83 CA2 (0.43) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL18150952 0.81 RIPK1 (0.48)
SCHEMBL18151648 0.81 RIPK1 (0.40) ALDH1A1MAPK14
SCHEMBL18151020 0.81 RIPK1 (0.39) KMT2AMEN1ALDH1A1L3MBTL1IKBKB
SCHEMBL18151583 0.79 AOC3 (0.43) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL16814754 0.79 AOC3 (0.43) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL29794997 0.79 AOC3 (0.43) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL18151311 0.79 AOC3 (0.43) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL18151053 0.77 RIPK1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO 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

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 KMT2A 4542/4885MEN1 2587/4885GAA 3595/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 KMT2A 4542/4885MEN1 2587/4885GAA 3595/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KMT2A 4542/4885MEN1 2587/4885GAA 3595/4885

“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.