SCHEMBL4838554

SCHEMBL4838554

CCCCC(=O)N1CCC(Nc2nc(Nc3ccc(OC)c(F)c3)nc(NC3CCCCCC3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 5/20 0.44
BCL6 P41182 2/20 0.44
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
EGFR P00533 1/20 0.42
GALR2 O43603 4/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL4832343 0.95 CDK1 (0.48) GALR1BCL6CDK1CDK4CCND1
SCHEMBL14268395 0.91 EPHX2 (0.50) GALR1BCL6EGFRGALR2EPHX2
SCHEMBL4829452 0.88 GALR1 (0.43) GALR1BCL6EGFRGALR2MEN1
SCHEMBL4839084 0.88 EGFR (0.48) GALR1BCL6EGFRGALR2MEN1
SCHEMBL4832442 0.87 MAPK8 (0.49) GALR1BCL6CDK1CDK4CCND1
SCHEMBL4836957 0.87 EGFR (0.42) GALR1BCL6EGFRGALR2MEN1
SCHEMBL4832416 0.87 GALR1 (0.49) GALR1BCL6EGFRGALR2MEN1
SCHEMBL5425383 0.87 BCL6 (0.48) GALR1BCL6CDK1CDK4CCND1
SCHEMBL4837724 0.87 BCL6 (0.48) GALR1BCL6EGFRGALR2MEN1
SCHEMBL4838637 0.86 GALR1 (0.45) GALR1BCL6CDK1CDK4CCND1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 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 961/4885BCL6 2097/4885CDK1 655/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885BCL6 2670/4885CDK1 1388/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885CDK1 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.