SCHEMBL5491965

SCHEMBL5491965

N#Cn1nnnc1-c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
TSHR P16473 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.55
TP53 P04637 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
GRM5 P41594 4/20 0.42

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
SCHEMBL3596359 0.74 NPC1 (0.56) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL3596358 0.74 NPC1 (0.56) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL27916117 0.71 KDM4E (0.56) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL9381965 0.71 ALDH1A1 (0.68) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL18030327 0.70 NPC1 (0.51) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL16795693 0.70 TP53 (0.47) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL2474693 0.69 NPC1 (1.00) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL30242943 0.69 NPC1 (1.00) KDM4ETSHRALDH1A1HTTMAPT
Dipyridyl SCHEMBL8655605 0.66 KDM4E (0.93) KDM4ETSHRALDH1A1HTTMAPT
Dipyridyl SCHEMBL8962334 0.66 KDM4E (0.93) KDM4ETSHRALDH1A1HTTMAPT

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-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
CN-1906187-A 5-fluoro-, chloro- and cyano-pyridin-2-yl-tetrazoles as ligands of the metabotropic glutamate receptor-5 ASTRAZENECA AB (SE) 2007-01-31 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-20070255061-A1 5-Fluoro-, Chloro-and Cyano-Pyridin-2-Yl-Tetrazoles as Ligands of the Metabotropic Glutamate Receptor-5 GRM5, GRIK5, GRM1 KDM4E 2267/4885TSHR 265/4885ALDH1A1 2648/4885

“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.