SCHEMBL15539271

SCHEMBL15539271

Clc1ccn2nc(Br)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.41
TDP2 O95551 6/20 0.34
PDE10A Q9Y233 1/20 0.34
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PARP1 P09874 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MME P08473 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
SCHEMBL9104806 0.80 AHR (0.61) AHR
SCHEMBL20605163 0.77 KDM4E (0.41) AHRPDE10AKDM4EALDH1A1MAPK1
SCHEMBL30842034 0.77 CYP11B1 (0.46) AHR
SCHEMBL9105398 0.77 AHR (0.41) AHRKDM4EALDH1A1
SCHEMBL16979292 0.77 KDM4E (0.40) AHRTDP2PDE10AKDM4EALDH1A1
SCHEMBL31456654 0.77 AHR (0.41) AHR
SCHEMBL30601219 0.76 AHR (0.74) AHRTDP2PDE10ANPSR1
Hydrochloric Acid SCHEMBL16320639 0.76 AHR (0.40) AHRKDM4EALDH1A1
SCHEMBL31310189 0.74 AHR (0.36) AHRPDE10AKDM4EALDH1A1MAPK1
SCHEMBL21069633 0.73 AHR (0.41) AHRTDP2PDE10A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688777-A1 NOVEL PD-L1 INHIBITORS Affirma Biotech S. L. (ES) 2026-02-11 EP disclosed
WO-2024200308-A1 NOVEL PD-L1 INHIBITORS Affirma Biotech S. L. (ES) 2024-10-03 WO disclosed
EP-4434987-A1 NOVEL PD-L1 INHIBITORS Affirma Biotech S. L. (ES) 2024-09-25 EP disclosed
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 WO disclosed
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 WO disclosed
EP-2855455-B1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
EP-2855455-B1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 US disclosed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 US disclosed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 US disclosed
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-28 US disclosed
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-28 US disclosed
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-28 US disclosed
EP-2855455-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 EP disclosed
WO-2013178572-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 WO disclosed
WO-2013178572-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 WO 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 (1 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-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS PDE3A, PDE3B, PDE5A AHR 4145/4885TDP2 317/4885PDE10A 4/4885

“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.