SCHEMBL6401017

SCHEMBL6401017

Cc1ccc2c(NC(N)=NC#N)cccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.40
P2RX7 Q99572 1/20 0.38
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SIGMAR1 Q99720 3/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL6401015 1.00 POLB (0.46) POLBMEN1KMT2ARXFP1P2RX7
SCHEMBL6403118 0.78 MEN1 (0.54) POLBMEN1KMT2AP2RX7USP2
SCHEMBL10859020 0.75 MEN1 (0.63) POLBMEN1KMT2ARXFP1ALDH1A1
SCHEMBL4821314 0.73 MEN1 (0.60) POLBMEN1KMT2ARXFP1ALDH1A1
SCHEMBL6400980 0.72 SIGMAR1 (0.58) POLBMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL6400976 0.72 SIGMAR1 (0.58) POLBMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL6402205 0.72 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL24597669 0.72 POLB (0.51) POLBMEN1KMT2ARXFP1ALDH1A1
SCHEMBL29258911 0.71 GRIN2D (0.38) POLBMEN1KMT2ARXFP1P2RX7
SCHEMBL6400987 0.71 P2RX7 (0.37) POLBMEN1KMT2AP2RX7SIGMAR1

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 POLB 4769/4885MEN1 4689/4885KMT2A 4090/4885

“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.