SCHEMBL4841140

SCHEMBL4841140

COc1ccc(Nc2nc(NCC3CCCCC3)nc(NC(C)c3ccc[nH]3)n2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.56
GALR2 O43603 6/20 0.38
SOS1 Q07889 1/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CDK2 P24941 3/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
ENO1 P06733 1/20 0.36
PI4KB Q9UBF8 3/20 0.35
METAP2 P50579 1/20 0.35
CCNB2 O95067 2/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
BCL6 P41182 1/20 0.35

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
SCHEMBL4839107 0.89 GALR1 (0.54) GALR1GALR2SOS1CDK1CCNB1
SCHEMBL4838584 0.87 BCL6 (0.45) GALR1GALR2BCL6
SCHEMBL4829002 0.85 GALR1 (0.60) GALR1GALR2SOS1CDK1CCNB1
SCHEMBL5036034 0.81 GALR1 (0.56) GALR1GALR2SOS1CDK1CCNB1
SCHEMBL4838923 0.80 GALR1 (0.67) GALR1GALR2SOS1CDK1CCNB1
SCHEMBL5431447 0.80 GALR1 (0.67) GALR1GALR2SOS1CDK1CCNB1
SCHEMBL4832453 0.80 GALR1 (0.67) GALR1GALR2SOS1ENO1PI4KB
SCHEMBL14537237 0.79 GALR1 (0.66) GALR1GALR2SOS1CDK1CCNB1
SCHEMBL4836168 0.79 GALR1 (0.66) GALR1GALR2BCL6
SCHEMBL6264078 0.79 GALR1 (0.41) GALR1SOS1CDK1CCNB1CDK2

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 9 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-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 961/4885GALR2 668/4885SOS1 1089/4885
US-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885SOS1 1089/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885GALR2 712/4885SOS1 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.