SCHEMBL1308002

SCHEMBL1308002

COc1cccc(OC)c1C(=O)Nc1ccc(I)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
PTPRC P08575 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPRA P18433 1/20 0.55
PTPRB P23467 1/20 0.55
PTPRE P23469 1/20 0.55
PTPN6 P29350 1/20 0.55
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50
GFER P55789 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
SCHEMBL1310066 0.86 KMT2A (0.64) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1307548 0.85 KDM4E (0.63) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1306361 0.85 AKR1C2 (0.59) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6712814 0.83 MAPT (0.55) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8671118 0.83 KMT2A (0.68) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL11224497 0.80 LMNA (0.60) MAPTPTPRCPTPN2PTPN1PTPRA
SCHEMBL1308639 0.79 PTPRC (0.59) MAPTPTPRCPTPN2PTPN1PTPRA
SCHEMBL3887267 0.78 PTPRC (0.66) MAPTPTPRCPTPN2PTPN1PTPRA
SCHEMBL28571620 0.77 KDM4E (0.61) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL13870844 0.75 CHEK1 (0.65) MAPTAKR1C4AKR1C3AKR1C2AKR1C1

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 MAPT 3606/4885PTPRC 203/4885PTPN2 284/4885

“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.