SCHEMBL10586336

SCHEMBL10586336

ClCc1nc2ccc(Cl)cn2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.49
PDE10A Q9Y233 1/20 0.48
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
KDM4E B2RXH2 4/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 5/20 0.34
POLB P06746 5/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL17221691 0.84 AHR (0.51) AHRPDE10AHTR1ADRD2DRD4
SCHEMBL17221587 0.84 AHR (0.47) AHRPDE10AHTR1ADRD2DRD4
SCHEMBL10587704 0.84 AHR (0.47) AHRPDE10AHTR1ADRD2DRD4
SCHEMBL21355525 0.75 KLKB1 (0.39) PDE10ADRD2POLB
SCHEMBL15607692 0.75 PDE10A (0.41) AHRPDE10AHTR1ADRD2DRD4
SCHEMBL10271997 0.73 AHR (0.51) AHRPDE10AHTR1ADRD2DRD4
SCHEMBL15415685 0.73 AHR (0.51) AHRPDE10AHTR1ADRD2DRD4
SCHEMBL10277904 0.72 JAK2 (0.46) PDE10ARAB9ANPC1KDM4EALDH1A1
SCHEMBL30601212 0.70 AHR (0.81) AHRRAB9ANPC1KDM4ETP53
SCHEMBL13401023 0.69 AHR (0.47) AHRPDE10AHTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0322153-A2 Heterocyclic oxophtalazinyl acetic acids PFIZER INC. (US) 1989-06-28 EP 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 4145/4885PDE10A 4/4885HTR1A 1122/4885

“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.