SCHEMBL6400976

SCHEMBL6400976

Cc1ccccc1N/C(N)=N\C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.58
GRIN2D O15399 11/20 0.58
GRIN3B O60391 11/20 0.58
GRIN1 Q05586 11/20 0.58
GRIN2A Q12879 11/20 0.58
GRIN2B Q13224 11/20 0.58
GRIN2C Q14957 11/20 0.58
GRIN3A Q8TCU5 11/20 0.58
MEN1 O00255 1/20 0.58
PABPC1 P11940 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
EBP Q15125 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL6400980 1.00 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6402616 0.81 MEN1 (0.54) MEN1TSHRKMT2APOLBNPC1
SCHEMBL6402612 0.81 MEN1 (0.54) MEN1TSHRKMT2APOLBNPC1
SCHEMBL6401562 0.79 CYP1A2 (0.47) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4682177 0.79 SIGMAR1 (0.49) SIGMAR1MEN1KMT2APOLBNPC1
SCHEMBL4682176 0.79 SIGMAR1 (0.49) SIGMAR1MEN1KMT2APOLBNPC1
SCHEMBL4682370 0.79 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4682368 0.79 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9059539 0.78 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17237894 0.78 NPC1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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 SIGMAR1 396/4885GRIN2D 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.