SCHEMBL6835627

SCHEMBL6835627

Cc1c(C(=O)O)cn(N)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HAAO P46952 1/20 0.37
MYC P01106 4/20 0.35
GPR35 Q9HC97 1/20 0.35
NOTUM Q6P988 2/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33

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
SCHEMBL4050385 0.83 MEN1 (0.36) KDM4EKMT2AMEN1TDP1HAAO
SCHEMBL6022285 0.83 KMT2A (0.39) KDM4EKMT2AMEN1MYCALDH1A1
SCHEMBL12492442 0.78 GPR35 (0.31) GPR35NOTUM
SCHEMBL12493617 0.78 GPR35 (0.41) TDP1MYCGPR35
SCHEMBL7253526 0.77 NOTUM (0.40) KDM4EKMT2AMEN1TDP1HAAO
SCHEMBL1585632 0.66 GRIA4 (0.43) KDM4EKMT2AMEN1MYCALDH1A1
SCHEMBL1663680 0.65 NOTUM (0.41) KDM4EKMT2AMEN1TDP1HAAO
SCHEMBL3054450 0.65 BRD4 (0.32) TDP1POLB
SCHEMBL4893584 0.62 NOTUM (0.39) KDM4EKMT2AMEN1TDP1HAAO
SCHEMBL25004848 0.62 RXFP1 (0.41) KDM4ETDP1GPR35GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 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 (1 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-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders PCNA, DPYD, MALT1 KDM4E 3651/4885KMT2A 2925/4885MEN1 2317/4885

“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.