SCHEMBL4360652

SCHEMBL4360652

CCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 16/20 1.00
ALDH1A1 P00352 1/20 0.58
CDK9 P50750 2/20 0.56
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 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
SMN1; SMN2 Q16637 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL4372065 0.94 AGPAT2 (0.89) AGPAT2ALDH1A1CDK9KDM4ENPC1
SCHEMBL13622487 0.93 AGPAT2 (0.87) AGPAT2ALDH1A1CDK9
SCHEMBL4366528 0.91 AGPAT2 (0.84) AGPAT2ALDH1A1CDK9KDM4ENPC1
SCHEMBL4363416 0.91 AGPAT2 (0.83) AGPAT2ALDH1A1CDK9POLBKDM4E
SCHEMBL4360685 0.90 AGPAT2 (0.82) AGPAT2ALDH1A1CDK9KDM4ENPC1
SCHEMBL4359668 0.89 AGPAT2 (0.79) AGPAT2ALDH1A1CDK9LMNARAB9A
SCHEMBL13622491 0.88 AGPAT2 (0.77) AGPAT2ALDH1A1CDK9KDM4ENPC1
SCHEMBL4357076 0.87 AGPAT2 (0.78) AGPAT2ALDH1A1CDK9KDM4ENPC1
SCHEMBL4366486 0.86 AGPAT2 (1.00) AGPAT2ALDH1A1CDK9LMNASMN1; SMN2
SCHEMBL4362325 0.86 AGPAT2 (0.74) AGPAT2ALDH1A1CDK9KDM4ENPC1

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 11 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

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 39/4885ALDH1A1 1286/4885CDK9 2263/4885
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.