SCHEMBL4359948

SCHEMBL4359948

Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(COC(=O)CNC(=O)OC(C)(C)C)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 9/20 0.55
CDK9 P50750 4/20 0.44
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
CASP3 P42574 2/20 0.39
RAB9A P51151 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
NFKB1 P19838 1/20 0.39
CDK5 Q00535 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL7066426 0.88 AGPAT2 (0.62) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL4369206 0.88 AGPAT2 (0.49) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL13622493 0.87 AGPAT2 (0.61) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL13622492 0.84 AGPAT2 (0.58) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL4367971 0.82 AGPAT2 (0.60) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL13622502 0.82 AGPAT2 (0.60) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL13622495 0.82 AGPAT2 (0.56) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL4358789 0.81 AGPAT2 (0.55) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL4359688 0.80 AGPAT2 (0.70) AGPAT2CDK9KDM4EHTTSMN1; SMN2
SCHEMBL13622494 0.79 AGPAT2 (0.56) AGPAT2CDK9KDM4EHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2003-08-14 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-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 39/4885CDK9 2263/4885KDM4E 2720/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885CDK9 2316/4885KDM4E 3239/4885

“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.