SCHEMBL5029274

SCHEMBL5029274

COc1ccc(Nc2nc(N)nc(C3CCCCCC3)n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 7/20 0.52
GALR2 O43603 6/20 0.49
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
PIK3CA P42336 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCL6 P41182 1/20 0.42
AGPAT2 O15120 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
INSR P06213 1/20 0.41
AXL P30530 1/20 0.41
KDR P35968 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41

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
SCHEMBL6231983 0.84 SMN1; SMN2 (0.58) GALR1GALR2SMN1; SMN2BCL6
SCHEMBL5029097 0.83 AGPAT2 (0.53) GALR1GALR2PIK3CAAGPAT2ABCB1
SCHEMBL4838923 0.82 GALR1 (0.67) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL27628522 0.81 GALR1 (0.47) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL5550587 0.81 GALR1 (0.48) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL4835239 0.78 BCL6 (0.59) GALR1GALR2SMN1; SMN2BCL6CYP2D6
SCHEMBL4832326 0.78 BCL6 (0.59) GALR1GALR2SMN1; SMN2BCL6CYP2D6
SCHEMBL4836523 0.78 BCL6 (0.59) GALR1GALR2SMN1; SMN2BCL6CYP2D6
SCHEMBL5555476 0.76 GALR1 (0.45) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL5553594 0.76 GALR1 (0.41) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 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-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885CDK1 655/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885GALR2 712/4885CDK1 1388/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885CDK1 655/4885

“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.