SCHEMBL18151734

SCHEMBL18151734

Clc1ccccc1[C@H]1COCc2nc3ccc(Br)cc3n21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
EPAS1 Q99814 2/20 0.34
NPM1 P06748 1/20 0.33
ALK Q9UM73 1/20 0.33
LCK P06239 1/20 0.32
RIPK1 Q13546 5/20 0.32
P2RX7 Q99572 1/20 0.32
EGFR P00533 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MAOB P27338 1/20 0.30
PTGES O14684 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
SCHEMBL18150334 1.00 PDE2A (0.37) PDE2APDE10AEPAS1NPM1ALK
SCHEMBL18151070 0.87 PDE2A (0.35) PDE2APDE10ANPM1ALKLCK
SCHEMBL18151018 0.86 EPAS1 (0.34) EPAS1RIPK1EGFRTP53MAPT
SCHEMBL18151601 0.84 DRD2 (0.34) NPM1ALKTP53MAPTSMN1; SMN2
SCHEMBL18153418 0.84 DRD2 (0.34) NPM1ALKTP53MAPTSMN1; SMN2
SCHEMBL18150861 0.84 DRD3 (0.33) PTGES
SCHEMBL18151059 0.83 P2RX7 (0.35) PDE2APDE10AEPAS1NPM1ALK
SCHEMBL18151061 0.83 P2RX7 (0.35) PDE2APDE10AEPAS1NPM1ALK
SCHEMBL18159769 0.81 TNF (0.42) PDE10AEGFR
SCHEMBL18151454 0.81 TNF (0.42) PDE10AEGFR

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-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
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
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 3039/4885EPAS1 3035/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 PDE2A 1526/4885PDE10A 3039/4885EPAS1 3035/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 PDE2A 1526/4885PDE10A 3039/4885EPAS1 3035/4885

“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.