SCHEMBL1308047

SCHEMBL1308047

O=C(Cc1ccc(Cl)cc1Cl)Nc1c(Br)cc(Br)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
P2RX7 Q99572 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
ERCC1 P07992 3/20 0.43
ERCC4 Q92889 3/20 0.43
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HPGD P15428 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40

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
SCHEMBL1308435 0.86 KCNJ5 (0.49) MEN1KMT2AALDH1A1GAAKCNJ5
SCHEMBL1307192 0.84 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1307882 0.81 MEN1 (0.59) GALR3NR2F2P2RX7MEN1KMT2A
SCHEMBL1308232 0.81 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1308059 0.77 KDM4E (0.64) GALR3NR2F2P2RX7MEN1KMT2A
SCHEMBL1307683 0.74 PRSS12 (0.56) MEN1KMT2AMAPT
SCHEMBL6305423 0.72 MEN1 (0.57) GALR3NR2F2MEN1KMT2ATSHR
SCHEMBL10559385 0.72 KCNJ5 (0.67) GALR3NR2F2MEN1KMT2AMAPT
SCHEMBL4200541 0.71 GALR3 (0.56) GALR3NR2F2P2RX7MEN1KMT2A
SCHEMBL1308305 0.71 GRIK1 (0.56) MEN1KMT2AMAPTTSHRSMN1; 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 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 GALR3 1472/4885NR2F2 3556/4885P2RX7 2974/4885

“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.