SCHEMBL4989425

SCHEMBL4989425

Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(Oc3ccccn3)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MKNK1 Q9BUB5 6/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4980965 0.89 SMN1; SMN2 (0.49) KMT2AMEN1LMNASMN1; SMN2MKNK1
SCHEMBL4985250 0.87 LMNA (0.40) MMP2MMP9KMT2ALMNASMN1; SMN2
SCHEMBL4983071 0.85 PKM (0.48) LMNASMN1; SMN2MKNK1TSHRHTT
SCHEMBL4980438 0.84 MMP1 (0.40) MMP2KMT2AMEN1LMNASMN1; SMN2
SCHEMBL4987016 0.84 PKM (0.51) LMNASMN1; SMN2MKNK1TSHRHTT
SCHEMBL4988452 0.83 MEN1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4982880 0.82 L3MBTL1 (0.42) KMT2ALMNASMN1; SMN2USP2MKNK1
SCHEMBL4982847 0.81 LMNA (0.41) KMT2AMEN1LMNASMN1; SMN2MKNK1
SCHEMBL4985230 0.81 MEN1 (0.43) KMT2AMEN1
SCHEMBL4988330 0.80 CD4 (0.50) HTTALDH1A1

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 MMP2 802/4885MMP9 849/4885KMT2A 4614/4885

“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.