SCHEMBL4835841

SCHEMBL4835841

CCN1CCCC1CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc(NC2CCCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
SYK P43405 3/20 0.47
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
PTK2 Q05397 1/20 0.46
CDK4 P11802 3/20 0.45
CDK1 P06493 2/20 0.45
SRC P12931 2/20 0.45
AURKA O14965 1/20 0.45
INSR P06213 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
CDK7 P50613 1/20 0.45
NTRK2 Q16620 1/20 0.45
FGFR4 P22455 2/20 0.43
CCNE2 O96020 2/20 0.43
CCNA2 P20248 2/20 0.43

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
SCHEMBL4836578 0.91 ADORA3 (0.49) SYKJAK2JAK3CDK4AURKA
SCHEMBL4838626 0.87 RAB9A (0.57) RAB9ACTSSCTSKMEN1ALDH1A1
SCHEMBL14268811 0.86 RAB9A (0.46) RAB9ACTSSCTSKMEN1ALDH1A1
SCHEMBL4832652 0.86 RAB9A (0.51) PDGFRACCNE1CDK2RAB9ACTSS
SCHEMBL4836468 0.86 RAB9A (0.46) RAB9ACTSSCTSKMEN1ALDH1A1
SCHEMBL4832892 0.86 HTR2C (0.48) RAB9ACTSSCTSKMEN1ALDH1A1
SCHEMBL14268895 0.86 ACHE (0.47) RAB9ACTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL4829405 0.85 ADORA3 (0.46) SYKJAK3RAB9ABTKCTSS
SCHEMBL4840315 0.84 ACHE (0.49) RAB9ACTSSCTSKMEN1ALDH1A1
SCHEMBL14274185 0.84 RAB9A (0.44) RAB9ACTSSCTSKMEN1ALDH1A1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US claimed
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 US disclosed
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 US disclosed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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 (8 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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885SYK 764/4885JAK2 114/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 EGFR 94/4885SYK 527/4885JAK2 129/4885
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 EGFR 353/4885SYK 286/4885JAK2 42/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885SYK 764/4885JAK2 114/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 EGFR 94/4885SYK 527/4885JAK2 129/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 EGFR 94/4885SYK 527/4885JAK2 129/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885SYK 764/4885JAK2 114/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EGFR 157/4885SYK 764/4885JAK2 114/4885

“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.