SCHEMBL4360656

SCHEMBL4360656

Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(COC(=O)[C@@H](N)CCC(=O)O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 7/20 0.56
CDK9 P50750 4/20 0.47
TPH1 P17752 1/20 0.40
KDM4E B2RXH2 2/20 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
SMN1; SMN2 Q16637 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
FFAR1 O14842 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4B Q07343 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
SCHEMBL13622494 0.92 AGPAT2 (0.56) AGPAT2CDK9TPH1KDM4ENPC1
SCHEMBL4358789 0.91 AGPAT2 (0.55) AGPAT2CDK9TPH1KDM4ENPC1
SCHEMBL13622492 0.89 AGPAT2 (0.58) AGPAT2CDK9KDM4ENPC1LMNA
SCHEMBL13622502 0.88 AGPAT2 (0.60) AGPAT2CDK9TPH1KDM4ENPC1
SCHEMBL4367971 0.88 AGPAT2 (0.60) AGPAT2CDK9TPH1KDM4ENPC1
SCHEMBL7066426 0.86 AGPAT2 (0.62) AGPAT2CDK9KDM4ENPC1LMNA
SCHEMBL13622495 0.86 AGPAT2 (0.56) AGPAT2CDK9TPH1KDM4ENPC1
SCHEMBL4363477 0.85 AGPAT2 (0.51) AGPAT2CDK9TPH1KDM4ENPC1
SCHEMBL13622493 0.84 AGPAT2 (0.61) AGPAT2CDK9KDM4ENPC1LMNA
SCHEMBL4357211 0.82 AGPAT2 (0.67) AGPAT2CDK9KDM4ENPC1LMNA

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-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US claimed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
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-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 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-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 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 (1 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-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885CDK9 2316/4885TPH1 1548/4885

“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.