SCHEMBL5694932

SCHEMBL5694932

c1ccc(-c2cccc3c2nnn3N=Nn2nnc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
GRM2 Q14416 2/20 0.39
SLC9A1 P19634 6/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
FAAH O00519 1/20 0.36

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
SCHEMBL5694968 0.80 SLC9A1 (0.54) GRM2SLC9A1MAPTPOLBMAPK1
SCHEMBL15040780 0.72 SLC9A1 (0.53) GRM2SLC9A1MAPTPOLBMAPK1
SCHEMBL5694930 0.71 SLC9A1 (0.44) KCNN4GRM2SLC9A1MAPTPOLB
SCHEMBL2050918 0.71 SLC9A1 (0.48) KCNN4GRM2SLC9A1MAPTKEAP1
SCHEMBL5694929 0.71 SLC9A1 (0.44) KCNN4GRM2SLC9A1MAPTPOLB
SCHEMBL4623671 0.71 POLB (0.48) KCNN4GRM2MAPTPOLBMAPK1
SCHEMBL1259144 0.71 POLB (0.52) GRM2SLC9A1MAPTPOLBMAPK1
SCHEMBL1829869 0.71 POLB (0.52) GRM2SLC9A1MAPTPOLBMAPK1
SCHEMBL13604190 0.68 SLC9A1 (0.44) KCNN4GRM2SLC9A1MAPTPOLB
SCHEMBL15693720 0.67 KCNMA1 (0.60) KCNN4GRM2SLC9A1MAPTPOLB

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-20060246460-A1 Nucleic acid sequence identification UNIVERSITY OF STRATHCLYDE (GB) 2006-11-02 US disclosed
EP-1658488-A1 NUCLEIC ACID SEQUENCE IDENTIFICATION The University of Strathclyde (GB) 2006-05-24 EP disclosed
WO-2005019812-A1 NUCLEIC ACID SEQUENCE IDENTIFICATION UNIVERSITY OF STRATHCLYDE (GB) 2005-03-03 WO 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-20060246460-A1 Nucleic acid sequence identification FBL, SSU72, SRRT KCNN4 2248/4885GRM2 3034/4885SLC9A1 4588/4885

“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.