SCHEMBL4839723

SCHEMBL4839723

CCc1ccc(Nc2nc(NCC3CCCCC3)nc(NC(CC)C3CCCN3)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.42
ENO1 P06733 1/20 0.36
SOS1 Q07889 3/20 0.35
PTGS2 P35354 1/20 0.33
KCNH3 Q9ULD8 2/20 0.32
IDH1 O75874 5/20 0.31
PLK4 O00444 1/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
FGFR1 P11362 1/20 0.30
CCNA2 P20248 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30

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
SCHEMBL5032204 0.91 GALR1 (0.41) GALR1ENO1SOS1PTGS2KCNH3
SCHEMBL5033742 0.90 GALR1 (0.41) GALR1ENO1SOS1PTGS2KCNH3
SCHEMBL5033962 0.90 GALR1 (0.41) GALR1ENO1SOS1PTGS2KCNH3
SCHEMBL4829579 0.90 GALR1 (0.41) GALR1ENO1SOS1PTGS2KCNH3
SCHEMBL4836077 0.89 GALR1 (0.40) GALR1ENO1SOS1PTGS2KCNH3
SCHEMBL5032234 0.89 GALR1 (0.40) GALR1ENO1SOS1PTGS2KCNH3
SCHEMBL5032227 0.88 GALR1 (0.40) GALR1ENO1SOS1PTGS2KCNH3
SCHEMBL4839616 0.88 GALR1 (0.55) GALR1ENO1SOS1CDK4CCND1
SCHEMBL6013860 0.88 GALR1 (0.55) GALR1ENO1SOS1CDK4CCND1
SCHEMBL4837841 0.88 GALR1 (0.55) GALR1ENO1SOS1CDK4CCND1

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-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
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-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 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-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 GALR1 961/4885ENO1 3493/4885SOS1 1089/4885
US-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885ENO1 3493/4885SOS1 1089/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885ENO1 4079/4885SOS1 762/4885

“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.