SCHEMBL2622387

SCHEMBL2622387

Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3Cl)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 7/20 0.66
▸ HTR2B P41595 1/20 0.61
▸ PDE4D Q08499 1/20 0.61
▸ CDK9 P50750 3/20 0.60
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ GPR68 Q15743 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ SENP7 Q9BQF6 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ SENP8 Q96LD8 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
SCHEMBL4364945 0.94 AGPAT2 (0.62) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL4366463 0.92 AGPAT2 (0.70) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL4362048 0.90 AGPAT2 (0.81) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL2622394 0.89 AGPAT2 (0.65) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL14769763 0.88 AGPAT2 (0.65) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL8413057 0.88 CDK9 (0.77) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL13622458 0.87 AGPAT2 (0.77) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL13953017 0.87 HTR2B (0.61) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL2622395 0.86 APP (0.52) AGPAT2HTR2BPDE4DCDK9NPC1
SCHEMBL2622384 0.85 AGPAT2 (0.88) AGPAT2CDK9ALDH1A1SMN1; SMN2LMNA

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-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-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

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 1226/4885HTR2B 1886/4885PDE4D 3444/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885HTR2B 1886/4885PDE4D 3444/4885
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 39/4885HTR2B 2836/4885PDE4D 1977/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885HTR2B 1886/4885PDE4D 3444/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885HTR2B 2043/4885PDE4D 1187/4885

“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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