SCHEMBL5341001

SCHEMBL5341001

N#CN=C(N)c1cccc2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.42
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SLC9A1 P19634 1/20 0.39
PREP P48147 1/20 0.38
ALOX15 P16050 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BLM P54132 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL5340997 1.00 NSD2 (0.42) NSD2POLBMAPTKDM4ESLC9A1
SCHEMBL566194 0.81 NSD2 (0.46) NSD2POLBMAPTKDM4ESLC9A1
SCHEMBL5340343 0.77 CYP1A2 (0.39) MAPTKDM4ESLC9A1MAPK1MEN1
SCHEMBL5340350 0.77 CYP1A2 (0.39) MAPTKDM4ESLC9A1MAPK1MEN1
SCHEMBL17142145 0.76 POLB (0.52) POLBMAPTKDM4EMAPK1MEN1
SCHEMBL6403118 0.75 MEN1 (0.54) NSD2POLBKDM4EPABPC1EIF4H
SCHEMBL20269682 0.75 MAPT (0.50) NSD2POLBMAPTKDM4EALOX15
Hydrochloric Acid SCHEMBL20270179 0.74 MAPT (0.48) NSD2POLBMAPTKDM4EALOX15
Hydrochloric Acid SCHEMBL29533730 0.74 MAPT (0.48) NSD2POLBMAPTKDM4EALOX15
SCHEMBL1804352 0.74 PARP1 (0.56) NSD2POLBMAPTKDM4EPABPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 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 (2 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-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 NSD2 3308/4885POLB 4148/4885MAPT 2216/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 NSD2 3308/4885POLB 4148/4885MAPT 2216/4885

“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.