SCHEMBL1307435

SCHEMBL1307435

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 2/20 0.57
KCNK10 P57789 2/20 0.57
MPO P05164 1/20 0.56
NTRK1 P04629 2/20 0.53
KDM1A O60341 1/20 0.52
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
NTRK2 Q16620 1/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
GRIK1 P39086 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
TP53 P04637 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
GPR27 Q9NS67 1/20 0.47
TMPRSS4 Q9NRS4 2/20 0.47
MAPT P10636 1/20 0.47
PLK1 P53350 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL1308018 0.86 NTRK1 (0.54) KCNK2MPONTRK1NTRK2GRIK1
SCHEMBL1308660 0.85 TMPRSS4 (0.64) KCNK2KCNK10MPONTRK1AKR1C2
SCHEMBL1308286 0.84 NPC1 (0.57) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6351486 0.84 KCNK2 (0.73) KCNK2KCNK10MPOKDM1AAKR1C2
SCHEMBL6349454 0.84 KCNK2 (0.56) KCNK2KCNK10MPOKDM1AAKR1C2
SCHEMBL4823169 0.80 SMN1; SMN2 (0.62) NTRK1RXFP1TRPV1GPR27TMPRSS4
SCHEMBL1307972 0.80 TP53 (0.70) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6347825 0.80 AKR1C2 (0.70) KCNK2KCNK10MPOAKR1C2AKR1C1
SCHEMBL3853307 0.78 SMN1; SMN2 (0.70) TRPV1GPR27TMPRSS4MAPTNPC1
SCHEMBL6440422 0.77 GRIK1 (0.62) KCNK2KCNK10MPOKDM1AAKR1C2

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 4 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
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 KCNK2 952/4885KCNK10 1098/4885MPO 3336/4885

“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.