SCHEMBL18151070

SCHEMBL18151070

Clc1cccc(Cl)c1C1COCc2nc3ccc(Br)cc3n21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
LCK P06239 1/20 0.34
NPM1 P06748 1/20 0.34
ALK Q9UM73 1/20 0.34
P2RX7 Q99572 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
GRM5 P41594 2/20 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
SCHEMBL18150334 0.87 PDE2A (0.37) PDE2APDE10ALCKNPM1ALK
SCHEMBL18151734 0.87 PDE2A (0.37) PDE2APDE10ALCKNPM1ALK
SCHEMBL18151091 0.84 EPAS1 (0.36) NPM1ALKP2RX7CCNCCDK8
SCHEMBL18151061 0.82 P2RX7 (0.35) PDE2APDE10ANPM1ALKP2RX7
SCHEMBL18151059 0.82 P2RX7 (0.35) PDE2APDE10ANPM1ALKP2RX7
SCHEMBL18151751 0.80 SIRT2 (0.36)
SCHEMBL18151018 0.78 EPAS1 (0.34)
SCHEMBL18151802 0.77 HDAC8 (0.37) PDE2A
SCHEMBL18159799 0.77 HDAC8 (0.37) PDE2A
SCHEMBL18151550 0.76 TNF (0.39)

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 13 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-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
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
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 PDE2A 1526/4885PDE10A 3039/4885LCK 212/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 PDE2A 1526/4885PDE10A 3039/4885LCK 212/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 PDE2A 1526/4885PDE10A 3039/4885LCK 212/4885

“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.