SCHEMBL5485303

SCHEMBL5485303

Cc1cc(C2=CN(CSc3nnc(-c4cccc(F)c4)n3C)NO2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
DRD3 P35462 4/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
DRD1 P21728 3/20 0.37
DRD4 P21917 3/20 0.37
DRD5 P21918 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL5483573 0.81 LMNA (0.51) DRD2DRD3NPC1RAB9ALMNA
SCHEMBL4940455 0.76 ALOX12 (0.53) DRD2DRD3LMNAALDH1A1MEN1
SCHEMBL1543858 0.75 CYP3A4 (0.46) DRD2DRD3KCNH2NPC1RAB9A
SCHEMBL5485301 0.75 HSD11B1 (0.34)
SCHEMBL4941967 0.74 MEN1 (0.47) LMNAALDH1A1MEN1KMT2ATP53
SCHEMBL4940240 0.74 HDAC2 (0.33) LMNAALDH1A1MEN1KMT2ATP53
SCHEMBL4939468 0.74 TSHR (0.47) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL4941138 0.73 ALOX12 (0.52) DRD2DRD3KCNH2RAB9ALMNA
SCHEMBL4946824 0.73 ALOX12 (0.51) DRD2DRD3KCNH2NPC1LMNA
SCHEMBL4945505 0.71 TSHR (0.46) NPC1RAB9ALMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 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 (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-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 DRD2 281/4885DRD3 454/4885KCNH2 1032/4885

“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.