SCHEMBL1308639

SCHEMBL1308639

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

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
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
HTT P42858 1/20 0.48
NOD2 Q9HC29 1/20 0.48
MAP2K1 Q02750 3/20 0.47
AKR1C4 P17516 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47

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
SCHEMBL1308873 0.86 PTPRC (0.56) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1309690 0.85 PTPRC (0.59) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1307380 0.85 AKR1C2 (0.64) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL1308002 0.79 MAPT (0.59) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL14075414 0.78 MEN1 (0.70) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1307929 0.78 NPC1 (0.58) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1308634 0.78 PTPRC (0.57) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL6349505 0.78 PTPRC (0.60) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1309719 0.76 PTPRC (0.62) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL8658188 0.75 MEN1 (0.56) MEN1KMT2AJAK2JAK1TYK2

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 6 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
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP claimed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 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.