SCHEMBL1307490

SCHEMBL1307490

CC(C)(C)C(=O)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GRIK1 P39086 13/20 0.59
RAB9A P51151 2/20 0.57
PTGES O14684 1/20 0.56
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL4070159 0.84 KDM4E (0.71) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3792617 0.83 KMT2A (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7470294 0.81 MEN1 (0.74) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6750019 0.81 KDM4E (0.75) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31102464 0.81 KDM4E (0.75) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29183052 0.81 GRIK1 (0.68) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9986801 0.81 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6113658 0.80 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2212088 0.79 KMT2A (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4567645 0.79 KMT2A (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; 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 3 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

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 724/4885ALDH1A1 1105/4885MEN1 2312/4885

“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.