SCHEMBL4363367

SCHEMBL4363367

Cc1nc(Nc2ccc3cn[nH]c3c2)nc(-c2cc(Cl)ccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 5/20 0.53
DYRK1A Q13627 2/20 0.48
NOS1 P29475 1/20 0.48
MAP4K4 O95819 1/20 0.46
CLK2 P49760 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CDC7 O00311 1/20 0.46
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL4366686 0.91 AGPAT2 (0.53) AGPAT2DYRK1ANOS1MAP4K4CLK2
SCHEMBL4362554 0.89 AGPAT2 (0.64) AGPAT2DYRK1ANOS1MAP4K4CLK2
SCHEMBL4359982 0.82 KDR (0.51) AGPAT2DYRK1ANOS1MAP4K4CLK2
SCHEMBL4287579 0.81 AGPAT2 (0.62) AGPAT2DYRK1ANOS1MAP4K4CLK2
SCHEMBL13622506 0.81 AGPAT2 (0.64) AGPAT2DYRK1ANOS1MAP4K4CLK2
SCHEMBL4370742 0.78 AGPAT2 (0.56) AGPAT2DYRK1ANOS1MAP4K4CLK2
SCHEMBL4362302 0.77 AGPAT2 (0.77) AGPAT2MAPTKMT2AMEN1
SCHEMBL13880181 0.75 AGPAT2 (0.78) AGPAT2DYRK1ANOS1NPC1RAB9A
SCHEMBL15426173 0.74 CDC7 (0.57) AGPAT2DYRK1AMAP4K4CLK2CLK4
SCHEMBL4367953 0.74 AGPAT2 (0.73) AGPAT2MAPTKMT2AKDM4EALDH1A1

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 12 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-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-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 (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 39/4885DYRK1A 2527/4885NOS1 4810/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885DYRK1A 3140/4885NOS1 4793/4885

“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.