SCHEMBL4538280

SCHEMBL4538280

Cc1ccc(Cl)cc1-c1nc(CN)nc(Nc2ccc(Br)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 11/20 0.73
CDK9 P50750 1/20 0.41
PDE4B Q07343 8/20 0.41
PDE4D Q08499 4/20 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
SCHEMBL4370695 0.89 AGPAT2 (0.71) AGPAT2PDE4BPDE4D
SCHEMBL13622466 0.88 AGPAT2 (0.56) AGPAT2CDK9PDE4BPDE4D
SCHEMBL29406206 0.84 AGPAT2 (1.00) AGPAT2CDK9PDE4D
SCHEMBL13622457 0.84 AGPAT2 (1.00) AGPAT2CDK9PDE4D
SCHEMBL4362302 0.84 AGPAT2 (0.77) AGPAT2CDK9PDE4B
SCHEMBL4373020 0.84 AGPAT2 (0.77) AGPAT2CDK9
SCHEMBL16705051 0.81 AGPAT2 (0.72) AGPAT2CDK9
SCHEMBL4363411 0.80 AGPAT2 (0.71) AGPAT2CDK9
SCHEMBL4359673 0.80 AGPAT2 (0.71) AGPAT2CDK9
SCHEMBL13622467 0.79 AGPAT2 (0.69) AGPAT2CDK9PDE4BPDE4D

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-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-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
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 WO 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 2263/4885PDE4B 1834/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885CDK9 2316/4885PDE4B 842/4885

“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.