SCHEMBL13622454

SCHEMBL13622454

COc1ccc(F)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 13/20 0.84
▸ ALDH1A1 P00352 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RECQL P46063 1/20 0.54
▸ CDK9 P50750 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4362545 0.94 AGPAT2 (0.86) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9
SCHEMBL4366486 0.92 AGPAT2 (1.00) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9
SCHEMBL2622386 0.90 AGPAT2 (0.67) AGPAT2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4358727 0.87 AGPAT2 (0.86) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9
SCHEMBL2622384 0.86 AGPAT2 (0.88) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9
SCHEMBL2622388 0.86 AGPAT2 (0.88) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9
SCHEMBL13622456 0.85 AGPAT2 (0.86) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9
SCHEMBL4358716 0.83 AGPAT2 (0.82) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9
SCHEMBL2631865 0.82 AGPAT2 (0.81) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9
SCHEMBL2622389 0.81 AGPAT2 (0.79) AGPAT2ALDH1A1SMN1; SMN2RECQLCDK9

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-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 — — US disclosed
EP-2581081-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-04-17 — — EP disclosed
EP-2572712-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-27 — — EP 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
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 — — WO 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 35/4885ALDH1A1 827/4885SMN1; SMN2 4744/4885

“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.

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