SCHEMBL4839435

SCHEMBL4839435

CCN1CCCC1CNc1nc(NCC2CCCCC2)nc(Nc2ccc(OC(=O)CCOCCOCCOCCOCCO)c(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.41
GALR1 P47211 1/20 0.41
P2RX3 P56373 2/20 0.37
VNN1 O95497 1/20 0.36
DRD2 P14416 3/20 0.34
MAP3K8 P41279 2/20 0.34
KCNH3 Q9ULD8 1/20 0.34

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
SCHEMBL4836650 0.94 GALR1 (0.43) ENO1GALR1P2RX3DRD2
SCHEMBL4832651 0.93 EGFR (0.37) ENO1GALR1P2RX3VNN1DRD2
SCHEMBL4836878 0.90 GALR1 (0.44) ENO1GALR1VNN1DRD2MAP3K8
SCHEMBL4838729 0.88 EGFR (0.42) GALR1DRD2
SCHEMBL4832479 0.87 GALR1 (0.47) ENO1GALR1VNN1DRD2MAP3K8
SCHEMBL5552030 0.86 DRD2 (0.38) ENO1VNN1DRD2
SCHEMBL4840363 0.84 GALR1 (0.52) ENO1GALR1P2RX3DRD2KCNH3
SCHEMBL4836470 0.83 GALR1 (0.50) ENO1GALR1P2RX3KCNH3
SCHEMBL7066320 0.83 GALR1 (0.51) ENO1GALR1KCNH3
SCHEMBL5031344 0.83 GALR1 (0.47) ENO1GALR1DRD2MAP3K8

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-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
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-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-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 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-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 ENO1 3493/4885GALR1 961/4885P2RX3 2424/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 ENO1 4079/4885GALR1 1159/4885P2RX3 1189/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ENO1 3493/4885GALR1 961/4885P2RX3 2424/4885

“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.