SCHEMBL18151059

SCHEMBL18151059

Brc1ccc2nc3n(c2c1)[C@@H](c1ccccc1)COC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
NPM1 P06748 2/20 0.34
ALK Q9UM73 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 1/20 0.33
HDAC1 Q13547 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC5 Q9UQL6 3/20 0.32
CYP19A1 P11511 1/20 0.32
SCD5 Q86SK9 1/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18151061 1.00 P2RX7 (0.35) P2RX7NPM1ALKCCNCCDK8
SCHEMBL18151091 0.87 EPAS1 (0.36) P2RX7NPM1ALKCCNCCDK8
SCHEMBL18151751 0.87 SIRT2 (0.36) KMT2AHDAC1HDAC8HDAC6SIRT2
SCHEMBL18159799 0.84 HDAC8 (0.37) KDM4EALDH1A1KMT2AMEN1HDAC8
SCHEMBL18151802 0.84 HDAC8 (0.37) KDM4EALDH1A1KMT2AMEN1HDAC8
SCHEMBL38651797 0.84 ALDH1A1 (0.42) P2RX7MAPTKDM4EALDH1A1KMT2A
SCHEMBL29987466 0.84 ALDH1A1 (0.42) P2RX7MAPTKDM4EALDH1A1KMT2A
SCHEMBL18150334 0.83 PDE2A (0.37) P2RX7NPM1ALKMAPTTP53
SCHEMBL18151734 0.83 PDE2A (0.37) P2RX7NPM1ALKMAPTTP53
SCHEMBL18151018 0.83 EPAS1 (0.34) MAPTHDAC1HDAC8HDAC6TP53

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 9 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
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
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 (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 P2RX7 359/4885NPM1 3556/4885ALK 1678/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 P2RX7 359/4885NPM1 3556/4885ALK 1678/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 P2RX7 359/4885NPM1 3556/4885ALK 1678/4885

“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.