SCHEMBL1308259

SCHEMBL1308259

O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 5/20 0.63
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GRIK1 P39086 11/20 0.54
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNK2 O95069 1/20 0.51
KCNK10 P57789 1/20 0.51
HPGD P15428 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
SCHEMBL3620144 0.85 KMT2A (0.60) PRSS12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1310218 0.81 DAO (0.57) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1307641 0.79 KCNMA1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3614718 0.78 PRSS12 (0.52) PRSS12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3618151 0.78 KDM4C (0.58) PRSS12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1309213 0.78 PRSS12 (0.64) PRSS12MEN1KMT2AGRIK1
SCHEMBL1308714 0.77 MEN1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1308769 0.77 PPARG (0.69) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29183052 0.76 GRIK1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1310106 0.76 GRIK1 (0.74) MEN1KMT2AGRIK1PKMNPSR1

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 PRSS12 2343/4885MEN1 2312/4885KMT2A 1570/4885

“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.