SCHEMBL21903282

SCHEMBL21903282

CNCc1cnc(Cl)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.38
SLC6A2 P23975 14/20 0.38
SLC6A3 Q01959 9/20 0.38
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KCNH2 Q12809 2/20 0.32
CYP2D6 P10635 1/20 0.32
HTR2A P28223 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL17589035 0.81 PDCD1LG2 (0.38) CD274KCNH2CYP2D6TYRO3DYRK1B
SCHEMBL22179001 0.79 KMT2A (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL4579208 0.77 NOS3 (0.36) CSNK1A1CLK4TYRO3DYRK1B
SCHEMBL30238970 0.77 NOS3 (0.36) CSNK1A1CLK4TYRO3DYRK1B
SCHEMBL16071417 0.74 ALDH1A1 (0.42) SLC6A4PDCD1CD274KCNH2CYP2D6
SCHEMBL4321200 0.74 KMT2A (0.39) CSNK1A1CLK4TYRO3DYRK1B
SCHEMBL24046195 0.73 KDM4E (0.32)
SCHEMBL6219173 0.73 AURKA (0.34)
SCHEMBL21479325 0.73 L3MBTL1 (0.37)
SCHEMBL23152791 0.73 MAOB (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2020-05-07 US disclosed
CN-110769830-A Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors 马瓦隆治疗有限公司 2020-02-07 CN 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-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 SLC6A4 562/4885SLC6A2 989/4885SLC6A3 312/4885

“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.