SCHEMBL2622388

SCHEMBL2622388

COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccccc2)n1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 12/20 0.88
ALDH1A1 P00352 1/20 0.72
CDK9 P50750 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.61
RECQL P46063 1/20 0.59
HRH4 Q9H3N8 1/20 0.57
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ADORA2A P29274 1/20 0.52
IMPDH2 P12268 1/20 0.50

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
SCHEMBL4366486 0.94 AGPAT2 (1.00) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL2622384 0.91 AGPAT2 (0.88) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL4362545 0.89 AGPAT2 (0.86) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL13622456 0.89 AGPAT2 (0.86) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL4358727 0.87 AGPAT2 (0.86) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL4358716 0.87 AGPAT2 (0.82) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL2631865 0.86 AGPAT2 (0.81) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL13622454 0.86 AGPAT2 (0.84) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL2622389 0.85 AGPAT2 (0.79) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL
SCHEMBL4362100 0.85 AGPAT2 (0.78) AGPAT2ALDH1A1CDK9SMN1; SMN2RECQL

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 27 patents — showing the first 20. 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-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
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
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 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-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 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-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
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 (5 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885CDK9 1410/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885CDK9 1410/4885
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 39/4885ALDH1A1 1286/4885CDK9 2263/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885CDK9 1410/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885ALDH1A1 827/4885CDK9 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.