SCHEMBL5523925

SCHEMBL5523925

O=c1nc[nH]c2c1ncn2C1=CN1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7037922 0.76 ALDH1A1 (0.36) DUSP3PTPN5PTPN11ALDH1A1KDM4E
SCHEMBL7168417 0.73 ALDH1A1 (0.34) DUSP3PTPN5PTPN11ALDH1A1KDM4E
SCHEMBL612167 0.73 ALDH1A1 (0.34) DUSP3PTPN5PTPN11ALDH1A1KDM4E
SCHEMBL9010837 0.73 ALDH1A1 (0.35) DUSP3PTPN5PTPN11ALDH1A1KDM4E
SCHEMBL28308645 0.72 FGFR1 (0.36) DUSP3PTPN5PTPN11ALDH1A1
SCHEMBL28275704 0.69 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1
SCHEMBL5616443 0.66 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1
SCHEMBL21356428 0.66 PIK3CG (0.37) ALDH1A1MEN1KMT2A
SCHEMBL160199 0.65 GDA (0.37) ALDH1A1
SCHEMBL8903562 0.65 PIK3CD (0.35) ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906629-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-03-15 US disclosed
US-20070148708-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SIGLER GERALD F 2007-06-28 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-20070148708-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SPR, HPN, SAMHD1 DUSP3 2000/4885PTPN5 692/4885PTPN11 880/4885

“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.