SCHEMBL4838591

SCHEMBL4838591

CCN1CCCC1CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(NC2CCCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.53
GALR1 P47211 2/20 0.53
KMT2A Q03164 2/20 0.51
HTR2C P28335 1/20 0.48
MCHR1 Q99705 1/20 0.48
CTSS P25774 4/20 0.47
CTSK P43235 4/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
SYK P43405 2/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
CHRNA7 P36544 1/20 0.42
RAB9A P51151 1/20 0.41
BACE1 P56817 1/20 0.40
VNN1 O95497 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4839239 0.88 THRB (0.51) KMT2ACTSSCTSKCTSLSYK
SCHEMBL4832698 0.87 GALR2 (0.41) GALR2GALR1KMT2AHTR2CMCHR1
SCHEMBL4838128 0.87 KMT2A (0.45) GALR2GALR1KMT2AHTR2CMCHR1
SCHEMBL4832892 0.87 HTR2C (0.48) KMT2AHTR2CCTSSCTSKCTSL
SCHEMBL4837746 0.86 MCHR1 (0.49) GALR2GALR1KMT2AMCHR1CTSS
SCHEMBL4838626 0.86 RAB9A (0.57) KMT2ACTSSCTSKCTSLRAB9A
SCHEMBL4836468 0.85 RAB9A (0.46) KMT2ACTSSCTSKCTSLRAB9A
SCHEMBL14268811 0.85 RAB9A (0.46) KMT2ACTSSCTSKCTSLRAB9A
SCHEMBL4832652 0.85 RAB9A (0.51) KMT2ACTSSCTSKCTSLRAB9A
SCHEMBL14268895 0.85 ACHE (0.47) CTSSCTSKRAB9ASMN1; SMN2

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-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-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-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-7332488-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-7332488-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 GALR2 668/4885GALR1 961/4885KMT2A 4102/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR2 712/4885GALR1 1159/4885KMT2A 3506/4885
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 GALR2 1003/4885GALR1 1307/4885KMT2A 2898/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR2 668/4885GALR1 961/4885KMT2A 4102/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR2 712/4885GALR1 1159/4885KMT2A 3506/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR2 712/4885GALR1 1159/4885KMT2A 3506/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR2 668/4885GALR1 961/4885KMT2A 4102/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR2 668/4885GALR1 961/4885KMT2A 4102/4885

“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.