SCHEMBL18151091

SCHEMBL18151091

Clc1cccc(C2COCc3nc4ccc(Br)cc4n32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
GRM5 P41594 2/20 0.35
TP53 P04637 2/20 0.34
TAAR1 Q96RJ0 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
MEN1 O00255 1/20 0.33
AVPR1A P37288 1/20 0.33
KMT2A Q03164 1/20 0.33
NPM1 P06748 1/20 0.33
ALK Q9UM73 1/20 0.33
RIPK1 Q13546 3/20 0.32
LMNA P02545 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL18151059 0.87 P2RX7 (0.35) EPAS1CCNCCDK8TP53P2RX7
SCHEMBL18151061 0.87 P2RX7 (0.35) EPAS1CCNCCDK8TP53P2RX7
SCHEMBL18151751 0.87 SIRT2 (0.36) EPAS1TAAR1MAOAMAOBKMT2A
SCHEMBL38651805 0.86 TP53 (0.46) CCNCCDK8GRM5TP53TAAR1
SCHEMBL18151070 0.84 PDE2A (0.35) CCNCCDK8GRM5P2RX7NPM1
SCHEMBL18151802 0.84 HDAC8 (0.37) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL18159799 0.84 HDAC8 (0.37) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL18150334 0.81 PDE2A (0.37) EPAS1TP53P2RX7MAOBNPM1
SCHEMBL18151734 0.81 PDE2A (0.37) EPAS1TP53P2RX7MAOBNPM1
SCHEMBL18151018 0.76 EPAS1 (0.34) EPAS1TP53MAOAMAOBRIPK1

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 11 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
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
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
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 EPAS1 3035/4885CCNC 1982/4885CDK8 913/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 EPAS1 3035/4885CCNC 1982/4885CDK8 913/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 EPAS1 3035/4885CCNC 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.