SCHEMBL6406103

SCHEMBL6406103

CCc1ncccc1N/C(N)=N\C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
BRD4 O60885 1/20 0.35
MAPT P10636 3/20 0.33
S1PR1 P21453 1/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
EBP Q15125 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6406108 1.00 ATR (0.38) ATRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6400987 0.81 P2RX7 (0.37) ATRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6400986 0.81 P2RX7 (0.37) ATRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4682241 0.78 MAPT (0.50) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL4682237 0.78 MAPT (0.50) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL4683978 0.78 P2RX7 (0.41) ATRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4683979 0.78 P2RX7 (0.41) ATRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6403118 0.75 MEN1 (0.54) MEN1PABPC1KMT2AKDM4ECYP1A2
SCHEMBL6400980 0.71 SIGMAR1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6400976 0.71 SIGMAR1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 ATR 4455/4885GRIN2D 499/4885GRIN3B 221/4885

“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.