SCHEMBL4829451

SCHEMBL4829451

COc1ccc(Nc2nc(N3CC(=O)SC3=O)nc(N(C)C3CCCCC3)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
GALR1 P47211 7/20 0.42
GALR2 O43603 6/20 0.40
EHMT2 Q96KQ7 2/20 0.36
EHMT1 Q9H9B1 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4837914 0.87 GALR1 (0.42) GALR1GALR2EHMT2EHMT1CCNT1
SCHEMBL4837868 0.84 GALR1 (0.44) GALR1GALR2EHMT2EHMT1CCNT1
SCHEMBL5550587 0.83 GALR1 (0.48) GALR1GALR2CDK4CCND1CYP2D6
SCHEMBL4829466 0.82 GALR1 (0.56) EGFRGALR1GALR2CDK4CCND1
SCHEMBL4838197 0.82 GALR1 (0.45) GALR1GALR2EHMT2EHMT1CCNT1
SCHEMBL4836074 0.81 EHMT2 (0.49) GALR1GALR2EHMT2EHMT1CDK4
SCHEMBL6856715 0.78 EHMT2 (0.54) GALR1GALR2EHMT2EHMT1BCL6
SCHEMBL4838386 0.77 GALR1 (0.45) GALR1GALR2EHMT2EHMT1CCNT1
SCHEMBL4839029 0.77 GALR1 (0.46) GALR1GALR2EHMT2EHMT1CDK4
SCHEMBL4829436 0.76 EHMT2 (0.50) GALR1GALR2EHMT2EHMT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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 (3 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885GALR1 961/4885GALR2 668/4885
US-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885GALR1 961/4885GALR2 668/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 EGFR 94/4885GALR1 1159/4885GALR2 712/4885

“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.