SCHEMBL1308617

SCHEMBL1308617

O=C(Nc1ccc(I)cc1C(=O)O)c1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.59
PTPN2 P17706 1/20 0.59
PTPN1 P18031 1/20 0.59
PTPRA P18433 1/20 0.59
PTPRB P23467 1/20 0.59
PTPRE P23469 1/20 0.59
PTPN6 P29350 1/20 0.59
TP53 P04637 1/20 0.56
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 2/20 0.53
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.50
GFER P55789 1/20 0.50
F10 P00742 1/20 0.50

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
SCHEMBL1308673 0.87 AKR1C2 (0.62) TP53KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1309719 0.85 PTPRC (0.62) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL6426650 0.84 KMT2A (0.69) TP53KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1308303 0.84 TP53 (0.78) TP53KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1307027 0.82 PTPRC (0.59) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1309690 0.82 PTPRC (0.59) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1308363 0.82 CYP1A2 (0.59) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL14075414 0.81 MEN1 (0.70) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1308455 0.81 PTPN1 (0.60) PTPN1TP53KMT2ASMN1; SMN2NPC1
SCHEMBL1310079 0.80 GFER (0.78) PTPRCPTPN2PTPN1PTPRAPTPRB

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 PTPRC 203/4885PTPN2 284/4885PTPN1 50/4885

“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.