SCHEMBL5555460

SCHEMBL5555460

CCC(Nc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCNCC2)n1)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.41
CTSB P07858 6/20 0.41
CTSS P25774 6/20 0.41
CTSK P43235 6/20 0.41
BCL6 P41182 2/20 0.41
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
GALR1 P47211 3/20 0.39
MAPK1 P28482 3/20 0.39
IDH2 P48735 1/20 0.38
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GALR2 O43603 2/20 0.36

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
SCHEMBL6013788 0.94 GALR1 (0.44) CTSLCTSSCTSKBCL6GALR1
SCHEMBL4829617 0.94 GALR1 (0.44) CTSLCTSSCTSKBCL6GALR1
SCHEMBL6013841 0.94 GALR1 (0.44) CTSLCTSSCTSKBCL6GALR1
SCHEMBL4832646 0.94 GALR1 (0.44) CTSLCTSSCTSKBCL6GALR1
SCHEMBL4838952 0.94 GALR1 (0.44) CTSLCTSSCTSKBCL6GALR1
SCHEMBL4832251 0.94 GALR1 (0.42) CTSLCTSBCTSSCTSKBCL6
SCHEMBL5550453 0.94 IDH2 (0.42) CTSLCTSBCTSSCTSKBCL6
Hydrochloric Acid SCHEMBL4838895 0.94 GALR1 (0.44) CTSLCTSSCTSKBCL6GALR1
SCHEMBL5554791 0.92 IDH2 (0.44) BCL6EHMT2EHMT1GALR1MAPK1
SCHEMBL4832502 0.91 GALR1 (0.45) BCL6EHMT2EHMT1GALR1MAPK1

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 10 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
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
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 CTSL 2784/4885CTSB 2373/4885CTSS 2220/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CTSL 2846/4885CTSB 1460/4885CTSS 1860/4885
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 CTSL 784/4885CTSB 832/4885CTSS 748/4885

“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.