SCHEMBL5554791

SCHEMBL5554791

CCC(Nc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCNC2)n1)C1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.44
GALR1 P47211 3/20 0.40
BCL6 P41182 1/20 0.38
MAPK1 P28482 3/20 0.36
CDK2 P24941 2/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
GALR2 O43603 3/20 0.35
EHMT2 Q96KQ7 3/20 0.35
EHMT1 Q9H9B1 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL5550453 0.95 IDH2 (0.42) IDH2GALR1BCL6MAPK1CDK2
SCHEMBL6013788 0.93 GALR1 (0.44) GALR1BCL6MAPK1GALR2
SCHEMBL4838952 0.93 GALR1 (0.44) GALR1BCL6MAPK1GALR2
SCHEMBL4832646 0.93 GALR1 (0.44) GALR1BCL6MAPK1GALR2
SCHEMBL6013841 0.93 GALR1 (0.44) GALR1BCL6MAPK1GALR2
SCHEMBL4829617 0.93 GALR1 (0.44) GALR1BCL6MAPK1GALR2
SCHEMBL5555460 0.92 CTSL (0.41) IDH2GALR1BCL6MAPK1CDK2
Hydrochloric Acid SCHEMBL4838895 0.92 GALR1 (0.44) GALR1BCL6MAPK1GALR2
SCHEMBL4832251 0.91 GALR1 (0.42) GALR1BCL6MAPK1CDK2CDK1
SCHEMBL4832502 0.89 GALR1 (0.45) GALR1BCL6MAPK1CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US claimed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme 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-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 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-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 IDH2 2530/4885GALR1 1159/4885BCL6 2670/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS IDH2 2587/4885GALR1 961/4885BCL6 2097/4885
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme ENGASE, LIPG, GPI IDH2 1910/4885GALR1 1435/4885BCL6 2367/4885

“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.