SCHEMBL6237774

SCHEMBL6237774

COc1ccc(N(c2nc(N)nc(N(C)C3CCN(C)CC3)n2)C2CCCCCC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 6/20 0.45
EHMT1 Q9H9B1 6/20 0.45
SPIN1 Q9Y657 1/20 0.39
SLC2A1 P11166 1/20 0.38
KMT5A Q9NQR1 2/20 0.36
NSD2 O96028 1/20 0.36
PIK3CA P42336 1/20 0.35
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL5421592 0.90 EHMT2 (0.39) EHMT2EHMT1SPIN1SLC2A1KMT5A
SCHEMBL6919803 0.89 EHMT2 (0.45) EHMT2EHMT1SPIN1SLC2A1KMT5A
Citric Acid SCHEMBL6865211 0.89 EHMT2 (0.37) EHMT2EHMT1SPIN1SLC2A1KMT5A
SCHEMBL6863012 0.88 SLC6A2 (0.34) EHMT2EHMT1SPIN1SLC2A1KMT5A
SCHEMBL6430010 0.88 EHMT2 (0.37) EHMT2EHMT1SPIN1NMT1HTR2A
SCHEMBL6921934 0.87 EHMT2 (0.38) EHMT2EHMT1SPIN1SLC2A1KMT5A
SCHEMBL6234157 0.85 NMT1 (0.37) EHMT2EHMT1NMT1JAK2HTR2A
SCHEMBL6818739 0.85 SMN1; SMN2 (0.46) EHMT2EHMT1HRH4ALDH1A1KDM4E
SCHEMBL5032272 0.85 SMN1; SMN2 (0.48) EHMT2EHMT1HRH4ALDH1A1KDM4E
SCHEMBL5412219 0.84 EHMT2 (0.41) EHMT2EHMT1SPIN1SLC2A1KMT5A

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
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP disclosed
US-20040209880-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US disclosed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 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-20040209880-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EHMT2 2905/4885EHMT1 2811/4885SPIN1 4353/4885

“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.