SCHEMBL1307548

SCHEMBL1307548

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
GAA P10253 1/20 0.63
AKR1C4 P17516 1/20 0.59
AKR1C3 P42330 1/20 0.59
AKR1C2 P52895 1/20 0.59
AKR1C1 Q04828 1/20 0.59
MAPT P10636 3/20 0.58
HSD17B10 Q99714 2/20 0.57
SERPINE1 P05121 5/20 0.56
MAPK1 P28482 1/20 0.56
GRIK1 P39086 1/20 0.55
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
KCNMA1 Q12791 1/20 0.53
HIF1A Q16665 1/20 0.53

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 0.85 KMT2A (0.64) GAAAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1308002 0.85 MAPT (0.59) KDM4EGAAAKR1C4AKR1C3AKR1C2
SCHEMBL1306361 0.84 AKR1C2 (0.59) KDM4EGAAAKR1C4AKR1C3AKR1C2
SCHEMBL6712814 0.82 MAPT (0.55) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1309828 0.82 AKR1C4 (0.66) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8671118 0.82 KMT2A (0.68) GAAMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL417027 0.81 SERPINE1 (0.73) KDM4EGAAAKR1C4AKR1C3AKR1C2
SCHEMBL6352179 0.81 SERPINE1 (0.63) KDM4EGAAAKR1C4AKR1C3AKR1C2
SCHEMBL11233843 0.81 SERPINE1 (0.60) KDM4EGAAAKR1C4AKR1C3AKR1C2
SCHEMBL11231268 0.81 CHEK1 (0.70) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1

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 KDM4E 724/4885GAA 2209/4885AKR1C4 2250/4885

“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.