SCHEMBL5032231

SCHEMBL5032231

COC(=O)N1CCCC1CNc1nc(Nc2ccc(OC)c(F)c2)nc(N(C)C2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.44
GALR2 O43603 6/20 0.41
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CCNT1 O60563 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
LRRK2 Q5S007 2/20 0.38
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
EGFR P00533 1/20 0.35
CYP2D6 P10635 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL4836970 0.94 GALR1 (0.44) GALR1GALR2CDK4CCND1CCNT1
SCHEMBL5032232 0.89 GALR1 (0.56) GALR1GALR2CDK4CCND1LRRK2
SCHEMBL4841270 0.87 GALR1 (0.47) GALR1GALR2
SCHEMBL4829394 0.87 GALR1 (0.47) GALR1GALR2
SCHEMBL4836981 0.82 GALR1 (0.56) GALR1GALR2CDK4CCND1CCNT1
SCHEMBL14506223 0.82 GALR1 (0.53) GALR1GALR2CDK4CCND1CDK1
SCHEMBL4838339 0.81 GALR1 (0.47) GALR1GALR2EGFR
SCHEMBL4829856 0.80 GALR1 (0.46) GALR1GALR2EGFRAXL
SCHEMBL14294410 0.80 GALR1 (0.45) GALR1CDK4CCND1CDK1CCNB1
SCHEMBL4832137 0.80 GALR1 (0.47) GALR1GALR2

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 961/4885GALR2 668/4885CDK4 845/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885GALR2 712/4885CDK4 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.