SCHEMBL17842425

SCHEMBL17842425

NC(c1cccnc1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 2/20 0.48
CFTR P13569 2/20 0.48
GOPC Q9HD26 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KCNA5 P22460 5/20 0.43
CYP2A6 P11509 1/20 0.42
KCNN4 O15554 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 1/20 0.40
GAA P10253 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL19951737 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL2111803 0.83 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNA5KDM4E
SCHEMBL6766141 0.83 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNA5KDM4E
SCHEMBL3384423 0.83 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNA5KDM4E
Hydrochloric Acid SCHEMBL4509965 0.81 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3KCNA5KDM4E
Hydrochloric Acid SCHEMBL1421214 0.81 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3KCNA5KDM4E
Hydrochloric Acid SCHEMBL7226415 0.81 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3KCNA5KDM4E
SCHEMBL589267 0.81 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3KCNA5KDM4E
SCHEMBL2494591 0.80 CFTR (0.58) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL17842115 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNA5GRIN2D

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
EP-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
EP-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
US-10752588-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-10752588-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-11-14 US disclosed
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-11-14 US disclosed
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-01-24 US disclosed
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-01-24 US disclosed
EP-3233799-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP disclosed
WO-2016100823-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed
WO-2016100823-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 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 (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-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 SLC6A2 14/4885SLC6A4 125/4885SLC6A3 2/4885
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 SLC6A2 14/4885SLC6A4 125/4885SLC6A3 2/4885
US-10752588-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 SLC6A2 14/4885SLC6A4 125/4885SLC6A3 2/4885

“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.