SCHEMBL4375606

SCHEMBL4375606

C[C](c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSL P07711 1/20 0.49
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SLC6A2 P23975 2/20 0.44
PKM P14618 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
ITGA5 P08648 1/20 0.44

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
SCHEMBL20659172 0.93 HTT (0.50) PARP1HTTKDM4EERCC5FEN1
SCHEMBL22572715 0.91 HTT (0.49) PARP1HTTKDM4EERCC5FEN1
SCHEMBL20659165 0.86 GRIN2B (0.46) PARP1HTTKDM4EERCC5FEN1
SCHEMBL3096979 0.85 PARP1 (0.56) PARP1HTTKDM4EERCC5FEN1
SCHEMBL7228337 0.84 HCAR2 (0.47) PARP1HTTKDM4EERCC5FEN1
SCHEMBL16951392 0.83 PARP1 (0.54) PARP1HTTKDM4EERCC5FEN1
SCHEMBL20659187 0.82 ABCB1 (0.49) PARP1HTTKDM4EERCC5FEN1
SCHEMBL23931574 0.81 PARP1 (0.63) PARP1HTTKDM4EERCC5FEN1
SCHEMBL13221047 0.81 CTSL (0.54) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL17187940 0.81 PARP1 (0.63) PARP1HTTKDM4EERCC5FEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP claimed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US claimed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US claimed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP claimed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US claimed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 WO claimed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US disclosed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 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 (3 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 PARP1 147/4885HTT 2556/4885KDM4E 2306/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 PARP1 133/4885HTT 2751/4885KDM4E 2211/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 PARP1 136/4885HTT 3133/4885KDM4E 2432/4885

“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.