SCHEMBL18159812

SCHEMBL18159812

Brc1ccc2nc3n(c2n1)C(c1ccccc1)COC3

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
RIPK1 Q13546 6/20 0.32
HDAC6 Q9UBN7 3/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NR3C2 P08235 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
SCHEMBL18150326 1.00 P2RX7 (0.36) P2RX7CCNCCDK8RIPK1HDAC6
SCHEMBL18151371 0.86 RIPK1 (0.34) RIPK1HDAC6HDAC1HDAC8NR3C2
SCHEMBL18150810 0.85 P2RX7 (0.36) P2RX7CCNCCDK8RIPK1HDAC6
SCHEMBL18150918 0.83 RIPK1 (0.34) RIPK1HDAC6HDAC1HDAC8NR3C2
SCHEMBL18153327 0.80 TNF (0.39)
SCHEMBL18150892 0.80 TNF (0.39)
SCHEMBL18151011 0.80 RIPK1 (0.40) RIPK1
SCHEMBL18151114 0.80 RIPK1 (0.40) RIPK1
SCHEMBL38651796 0.79 TNF (0.35) P2RX7CCNCCDK8HDAC6HDAC1
SCHEMBL18151059 0.79 P2RX7 (0.35) P2RX7CCNCCDK8HDAC6HDAC1

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
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
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
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 (2 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 P2RX7 359/4885CCNC 1982/4885CDK8 913/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 P2RX7 359/4885CCNC 1982/4885CDK8 913/4885

“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.