SCHEMBL6863012

SCHEMBL6863012

COc1ccc(N(c2nc(N)nc(N(C)C3CCNCC3)n2)C2CCCCCC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
EHMT2 Q96KQ7 4/20 0.34
EHMT1 Q9H9B1 3/20 0.34
PIK3CA P42336 1/20 0.34
SPIN1 Q9Y657 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NMT1 P30419 2/20 0.33
KDM1A O60341 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
KMT5A Q9NQR1 1/20 0.32
SLC2A1 P11166 1/20 0.32
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31

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
SCHEMBL6237774 0.88 EHMT2 (0.45) EHMT2EHMT1PIK3CASPIN1ALDH1A1
SCHEMBL5424507 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SPIN1ALDH1A1L3MBTL1
SCHEMBL4841050 0.82 SMN1; SMN2 (0.39) PIK3CAALDH1A1L3MBTL1KDM1ASMN1; SMN2
SCHEMBL5421592 0.78 EHMT2 (0.39) EHMT2EHMT1PIK3CASPIN1NMT1
Citric Acid SCHEMBL6865211 0.78 EHMT2 (0.37) EHMT2EHMT1PIK3CASPIN1KMT5A
SCHEMBL6919803 0.77 EHMT2 (0.45) EHMT2EHMT1SPIN1NMT1SMN1; SMN2
SCHEMBL6921934 0.76 EHMT2 (0.38) EHMT2EHMT1PIK3CASPIN1NMT1
SCHEMBL6016881 0.75 MAPK1 (0.36) EHMT2EHMT1SPIN1ALDH1A1L3MBTL1
SCHEMBL6430010 0.75 EHMT2 (0.37) EHMT2EHMT1SPIN1NMT1
SCHEMBL6818739 0.75 SMN1; SMN2 (0.46) EHMT2EHMT1ALDH1A1SMN1; SMN2HRH4

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-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 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-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SLC6A2 4796/4885SLC6A4 4750/4885EHMT2 2905/4885

“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.