SCHEMBL5033742

SCHEMBL5033742

CCC(Nc1nc(NCC2CCCCC2)nc(Nc2ccc(N)c(F)c2)n1)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.41
ENO1 P06733 1/20 0.36
SOS1 Q07889 4/20 0.35
JAK2 O60674 1/20 0.33
KCNH3 Q9ULD8 2/20 0.32
IDH1 O75874 5/20 0.31
PTGS2 P35354 1/20 0.31
BACE1 P56817 1/20 0.31
TPH1 P17752 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) GALR1ENO1SOS1KCNH3IDH1
SCHEMBL4829579 0.90 GALR1 (0.41) GALR1ENO1SOS1JAK2KCNH3
SCHEMBL5031283 0.90 SOS1 (0.37) GALR1ENO1SOS1KCNH3IDH1
SCHEMBL5033962 0.90 GALR1 (0.41) GALR1ENO1SOS1KCNH3IDH1
SCHEMBL4839723 0.90 GALR1 (0.42) GALR1ENO1SOS1KCNH3IDH1
SCHEMBL4836077 0.89 GALR1 (0.40) GALR1ENO1SOS1KCNH3IDH1
SCHEMBL5032234 0.89 GALR1 (0.40) GALR1ENO1SOS1KCNH3IDH1
SCHEMBL6013860 0.88 GALR1 (0.55) GALR1ENO1SOS1
SCHEMBL4837841 0.88 GALR1 (0.55) GALR1ENO1SOS1
SCHEMBL5032227 0.88 GALR1 (0.40) GALR1ENO1SOS1JAK2KCNH3

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
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-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 961/4885ENO1 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.