SCHEMBL2622393

SCHEMBL2622393

CCc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3C)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 11/20 0.74
▸ CDK9 P50750 4/20 0.56
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CASP3 P42574 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ SENP7 Q9BQF6 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL4368460 0.91 AGPAT2 (0.74) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL4361915 0.90 AGPAT2 (0.85) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL4360664 0.89 AGPAT2 (0.73) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL13622483 0.89 AGPAT2 (0.73) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL4365148 0.89 AGPAT2 (0.65) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL18269844 0.88 AGPAT2 (0.57) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL4362048 0.88 AGPAT2 (0.81) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL4364447 0.87 AGPAT2 (0.70) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL4359688 0.87 AGPAT2 (0.70) AGPAT2CDK9NPC1RAB9AKDM4E
SCHEMBL4361669 0.87 AGPAT2 (0.70) AGPAT2CDK9NPC1RAB9AKDM4E

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 16 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-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-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-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 — — 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-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 — — US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 — — 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
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 (4 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 1226/4885CDK9 1410/4885NPC1 1849/4885
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 39/4885CDK9 2263/4885NPC1 457/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885CDK9 1410/4885NPC1 1849/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885CDK9 2316/4885NPC1 558/4885

“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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