SCHEMBL13622506

SCHEMBL13622506

Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 8/20 0.64
KDR P35968 3/20 0.49
CDK9 P50750 2/20 0.48
NOS1 P29475 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
DYRK1A Q13627 3/20 0.45
PRKD2 Q9BZL6 2/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
CLK2 P49760 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
RPS6KB1 P23443 1/20 0.45
PRKG1 Q13976 1/20 0.45
SGK2 Q9HBY8 1/20 0.45
STK17A Q9UEE5 1/20 0.45
JAK2 O60674 2/20 0.42
PRKACA P17612 2/20 0.42
GSK3A P49840 2/20 0.42

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
SCHEMBL4362554 0.92 AGPAT2 (0.64) AGPAT2CDK9NOS1DYRK1AMAP4K4
SCHEMBL4359982 0.89 KDR (0.51) AGPAT2KDRNOS1ROCK2ROCK1
SCHEMBL4361700 0.83 AGPAT2 (0.77) AGPAT2CDK9JAK2ALDH1A1CDK5
SCHEMBL4361915 0.83 AGPAT2 (0.85) AGPAT2KDRCDK9ALDH1A1CDK5
SCHEMBL4370742 0.81 AGPAT2 (0.56) AGPAT2CDK9NOS1DYRK1AMAP4K4
SCHEMBL4363367 0.81 AGPAT2 (0.53) AGPAT2KDRNOS1DYRK1AMAP4K4
SCHEMBL4366686 0.81 AGPAT2 (0.53) AGPAT2KDRNOS1DYRK1AMAP4K4
SCHEMBL4362048 0.81 AGPAT2 (0.81) AGPAT2CDK9JAK2ALDH1A1CDK5
SCHEMBL29406206 0.78 AGPAT2 (1.00) AGPAT2CDK9ALDH1A1CDK5
SCHEMBL13622457 0.78 AGPAT2 (1.00) AGPAT2CDK9ALDH1A1CDK5

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-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-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 35/4885KDR 2145/4885CDK9 2316/4885

“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.