SCHEMBL1307380

SCHEMBL1307380

O=C(O)c1cc(Br)ccc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.64
AKR1C1 Q04828 4/20 0.64
AKR1C4 P17516 1/20 0.64
AKR1C3 P42330 1/20 0.64
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ABL1 P00519 1/20 0.57
TSHR P16473 1/20 0.57
RIN1 Q13671 1/20 0.57
TP53 P04637 1/20 0.54
KCNK2 O95069 1/20 0.54
KCNK10 P57789 1/20 0.54
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.50
MPO P05164 1/20 0.50
DHODH Q02127 1/20 0.49
TRPM2 O94759 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL1307653 0.87 AKR1C2 (0.60) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL1307972 0.87 TP53 (0.70) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL1308639 0.85 PTPRC (0.59) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6350830 0.85 AKR1C2 (0.76) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL1309342 0.84 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL5950307 0.81 RAB9A (0.63) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL1306361 0.81 AKR1C2 (0.59) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6355650 0.81 AKR1C2 (0.84) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6358050 0.80 AKR1C2 (0.50) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL9513479 0.80 MAPT (0.80) AKR1C2AKR1C1AKR1C4AKR1C3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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 (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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 AKR1C2 2289/4885AKR1C1 1435/4885AKR1C4 2250/4885

“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.