SCHEMBL4286785

SCHEMBL4286785

COc1ccc(Cl)cc1-c1nc(N)nc(Cl)c1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
ALDH1A1 P00352 2/20 0.52
AGPAT2 O15120 12/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
STAT3 P40763 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4786950 0.89 MGAM (0.47) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL4284941 0.84 RECQL (0.54) RECQLALDH1A1AGPAT2KDM4EMEN1
SCHEMBL4707642 0.78 AGPAT2 (0.47) ALDH1A1AGPAT2KDM4EMEN1LMNA
SCHEMBL9566471 0.76 RECQL (0.78) RECQLALDH1A1AGPAT2KDM4EMEN1
SCHEMBL29488745 0.76 ALDH1A1 (0.55) RECQLALDH1A1AGPAT2KDM4EMEN1
SCHEMBL929779 0.76 ALDH1A1 (0.55) RECQLALDH1A1AGPAT2KDM4EMEN1
SCHEMBL13880213 0.73 AGPAT2 (0.66) ALDH1A1AGPAT2KDM4EMEN1KMT2A
SCHEMBL4280537 0.72 HSP90AA1 (0.71) RECQLALDH1A1AGPAT2KDM4EHSP90AA1
SCHEMBL2328134 0.72 ADORA1 (0.59) RECQLALDH1A1KDM4EL3MBTL1
SCHEMBL19560244 0.71 ALDH1A1 (0.48) RECQLALDH1A1AGPAT2KDM4ESMN1; SMN2

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-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-2007090852-A1 AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME LIMITED (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-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
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 RECQL 1820/4885ALDH1A1 1326/4885AGPAT2 100/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT RECQL 2213/4885ALDH1A1 1116/4885AGPAT2 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.