SCHEMBL2347313

SCHEMBL2347313

O=C1CCOCCN1c1cc[c]nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 6/20 0.33
TSHR P16473 1/20 0.32
F10 P00742 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL2344200 0.87 PTGS2 (0.44) PTGS2F10
SCHEMBL2337506 0.81 ALDH1A1 (0.46) ALDH1A1HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL2340431 0.80 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL2342728 0.79 HPGD (0.42) ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL2350173 0.77 HPGD (0.38) HPGDKMT2A
SCHEMBL1515215 0.76 LMNA (0.47) ALDH1A1HPGDKDM4EKMT2ATSHR
SCHEMBL12280261 0.75 PIK3CA (0.43) ALDH1A1HPGDKDM4EKMT2APTGS2
SCHEMBL2342841 0.72 SLC6A2 (0.40) HPGD
SCHEMBL16570287 0.72 SLC6A2 (0.40)
SCHEMBL85673 0.71 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EKMT2APTGS2

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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 EP 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 ALDH1A1 1378/4885HPGD 2840/4885KDM4E 1929/4885

“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.