SCHEMBL5491968

SCHEMBL5491968

N#Cc1cccnc1-c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
CNR2 P34972 1/20 0.38
HDAC1 Q13547 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAP2K1 Q02750 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HPGD P15428 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
METAP2 P50579 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 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
SCHEMBL31267979 0.76 CNR2 (0.49) LRRK2CNR2HDAC1KCNH2TRPV1
SCHEMBL7212332 0.76 PTGES (0.44) KCNH2MAP2K1PTGES
SCHEMBL8112420 0.76 TDP2 (0.39) ALDH1A1KMT2A
SCHEMBL26602783 0.75 CNR2 (0.34) CNR2TRPV1HPGDALDH1A1CYP1A2
SCHEMBL16755605 0.75 METAP2 (0.44) CNR2TRPV1NPC1RAB9AMETAP2
SCHEMBL4765948 0.73 LRRK2 (0.44) LRRK2CNR2HDAC1KCNH2TRPV1
SCHEMBL216707 0.72
SCHEMBL24417010 0.71 TRIM24 (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14663824 0.71 PTGS2 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7439707 0.71 MEN1 (0.36) KMT2A

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-20070255061-A1 5-Fluoro-, Chloro-and Cyano-Pyridin-2-Yl-Tetrazoles as Ligands of the Metabotropic Glutamate Receptor-5 ASTRAZENECA AB (SE) 2007-11-01 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-20070255061-A1 5-Fluoro-, Chloro-and Cyano-Pyridin-2-Yl-Tetrazoles as Ligands of the Metabotropic Glutamate Receptor-5 GRM5, GRIK5, GRM1 LRRK2 3127/4885CNR2 67/4885HDAC1 2404/4885

“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.