SCHEMBL4280537

SCHEMBL4280537

COc1ccc(Cl)cc1-c1cc(Cl)nc(N)n1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.71
▸ HSP90AB1 P08238 8/20 0.71
▸ AGPAT2 O15120 9/20 0.67
▸ ALDH1A1 P00352 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ RECQL P46063 1/20 0.57

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
SCHEMBL3942089 0.87 HSP90AA1 (0.76) HSP90AA1HSP90AB1AGPAT2
SCHEMBL3952206 0.85 HSP90AA1 (0.68) HSP90AA1HSP90AB1AGPAT2ALDH1A1
SCHEMBL5375905 0.85 AGPAT2 (0.67) HSP90AA1HSP90AB1AGPAT2ALDH1A1KDM4E
SCHEMBL4286869 0.84 AGPAT2 (0.70) HSP90AA1HSP90AB1AGPAT2
SCHEMBL3718236 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1AGPAT2KDM4E
SCHEMBL4286846 0.83 ALDH1A1 (0.55) HSP90AA1HSP90AB1AGPAT2ALDH1A1KDM4E
SCHEMBL15756953 0.83 AGPAT2 (0.77) HSP90AA1HSP90AB1AGPAT2ALDH1A1KDM4E
SCHEMBL5386005 0.83 ALDH1A1 (0.57) HSP90AA1HSP90AB1AGPAT2ALDH1A1KDM4E
SCHEMBL13880138 0.81 AGPAT2 (1.00) AGPAT2
SCHEMBL9566471 0.80 RECQL (0.78) HSP90AA1HSP90AB1AGPAT2ALDH1A1KDM4E

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-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 — — US disclosed
EP-1991550-A1 AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome Limited (GB) 2008-11-19 — — EP disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 — — US disclosed
EP-1860109-A1 Azetidine amino pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-11-28 — — EP disclosed
EP-1860109-A1 Azetidine amino pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-11-28 — — EP disclosed
EP-1860108-A1 Enantiomers of Amino Pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-11-28 — — EP disclosed
EP-1860108-A1 Enantiomers of Amino Pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-11-28 — — EP disclosed
EP-1829879-A1 Amino pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-09-05 — — EP disclosed
EP-1829879-A1 Amino pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-09-05 — — EP disclosed
WO-2007090854-A1 AZETIDINE AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-08-16 — — WO disclosed
WO-2007090854-A1 AZETIDINE AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-08-16 — — WO disclosed
WO-2007090853-A1 ENANTIOMERS OF AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-08-16 — — WO disclosed
WO-2007090852-A1 AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME LIMITED (GB) 2007-08-16 — — WO disclosed
WO-2007090853-A1 ENANTIOMERS OF AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-08-16 — — WO disclosed
WO-2007090852-A1 AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME LIMITED (GB) 2007-08-16 — — WO disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 — — 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT HSP90AA1 4126/4885HSP90AB1 4236/4885AGPAT2 100/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HSP90AA1 4006/4885HSP90AB1 3829/4885AGPAT2 94/4885

“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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