SCHEMBL4837656

SCHEMBL4837656

CC[N+]1(C(C)=O)CCCC1CNc1nc(Nc2ccc(OC)c(F)c2)nc(N(C)C2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 4/20 0.43
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
GALR2 O43603 4/20 0.35
AXL P30530 4/20 0.34
JAK3 P52333 3/20 0.33
PTK2 Q05397 1/20 0.33
LCK P06239 1/20 0.33
KDM4C Q9H3R0 2/20 0.32

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
SCHEMBL4837659 0.89 GALR1 (0.54) GALR1GALR2AXLPTK2
Hydrochloric Acid SCHEMBL5553572 0.89 GALR1 (0.53) GALR1GALR2AXL
SCHEMBL5549426 0.88 GALR1 (0.45) GALR1GALR2AXL
Hydrochloric Acid SCHEMBL5549836 0.87 GALR1 (0.44) GALR1GALR2AXL
Hydrochloric Acid SCHEMBL5031331 0.87 GALR1 (0.46) GALR1CCNT1CDK4CCND1CCND3
SCHEMBL4836970 0.80 GALR1 (0.44) GALR1CCNT1CDK4CCND1CCND3
SCHEMBL5032231 0.78 GALR1 (0.44) GALR1CCNT1CDK4CCND1CCND3
SCHEMBL4829394 0.78 GALR1 (0.47) GALR1GALR2
SCHEMBL4841270 0.78 GALR1 (0.47) GALR1GALR2
SCHEMBL4836927 0.76 GALR1 (0.58) GALR1CDK4CCND1GALR2

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
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-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-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 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 (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 961/4885CCNT1 2717/4885CDK4 845/4885
US-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885CCNT1 2717/4885CDK4 845/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885CCNT1 3706/4885CDK4 1687/4885

“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.