SCHEMBL5036034

SCHEMBL5036034

COc1ccc(Nc2nc(NCC3CCCCC3)nc(NC(C)C3CCCN3)n2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 5/20 0.56
MAPK1 P28482 1/20 0.41
GALR2 O43603 5/20 0.39
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
ENO1 P06733 1/20 0.36
P2RX3 P56373 1/20 0.36
PI4KB Q9UBF8 4/20 0.36
METAP2 P50579 1/20 0.36
BCL6 P41182 1/20 0.35
SOS1 Q07889 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
SCHEMBL6013830 0.90 GALR1 (0.55) GALR1MAPK1GALR2CDK1CDK4
SCHEMBL5036365 0.90 GALR1 (0.55) GALR1MAPK1GALR2CDK1CDK4
SCHEMBL4836390 0.90 GALR1 (0.55) GALR1MAPK1GALR2CDK1CDK4
SCHEMBL4837841 0.90 GALR1 (0.55) GALR1MAPK1GALR2CDK1CDK4
SCHEMBL4839616 0.90 GALR1 (0.55) GALR1MAPK1GALR2CDK1CDK4
SCHEMBL6013860 0.90 GALR1 (0.55) GALR1MAPK1GALR2CDK1CDK4
SCHEMBL5029188 0.89 GALR1 (0.53) GALR1MAPK1GALR2CDK1CDK4
SCHEMBL5031255 0.88 GALR1 (0.55) GALR1MAPK1GALR2CDK1CDK4
SCHEMBL5553437 0.87 BCL6 (0.46) GALR1MAPK1GALR2BCL6
SCHEMBL4829548 0.86 GALR1 (0.51) GALR1GALR2CDK1CDK4CCNB1

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
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
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-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 (2 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-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885MAPK1 343/4885GALR2 668/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885MAPK1 370/4885GALR2 712/4885

“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.