SCHEMBL6403118

SCHEMBL6403118

N#CN=C(N)Nc1cccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
P2RX7 Q99572 4/20 0.49
HDAC6 Q9UBN7 1/20 0.48
PABPC1 P11940 3/20 0.47
EIF4H Q15056 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
USP2 O75604 1/20 0.45
NSD2 O96028 1/20 0.45
ALPL P05186 1/20 0.45
POLB P06746 1/20 0.45
ALPI P09923 1/20 0.45

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
SCHEMBL6401017 0.78 POLB (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL6401015 0.78 POLB (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL4682241 0.78 MAPT (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6400986 0.78 P2RX7 (0.37) MEN1KMT2AP2RX7PABPC1L3MBTL1
SCHEMBL4682237 0.78 MAPT (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6400987 0.78 P2RX7 (0.37) MEN1KMT2AP2RX7PABPC1L3MBTL1
SCHEMBL14267836 0.78 P2RX7 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL14257461 0.78 P2RX7 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL11233622 0.76 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL29653970 0.76 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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 MEN1 4689/4885KMT2A 4090/4885ALDH1A1 1730/4885

“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.