SCHEMBL1308442

SCHEMBL1308442

COc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ PKM P14618 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ GRIK1 P39086 4/20 0.70
▸ ALDH1A1 P00352 2/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ MAPT P10636 2/20 0.64
▸ KCNK2 O95069 2/20 0.62
▸ KCNK10 P57789 2/20 0.62
▸ HPGD P15428 2/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ SERPINE1 P05121 1/20 0.60
▸ F10 P00742 1/20 0.57
▸ PRSS12 P56730 2/20 0.57

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
SCHEMBL1308714 0.87 MEN1 (0.76) KMT2AMEN1PKMNPSR1GRIK1
SCHEMBL3785256 0.86 F10 (0.77) KMT2AMEN1PKMNPSR1ALDH1A1
SCHEMBL13941747 0.86 MEN1 (0.75) KMT2AMEN1PKMNPSR1GRIK1
SCHEMBL6351589 0.86 KMT2A (0.75) KMT2AMEN1PKMNPSR1ALDH1A1
SCHEMBL1310106 0.83 GRIK1 (0.74) KMT2AMEN1PKMNPSR1GRIK1
SCHEMBL3962093 0.83 GRIK1 (1.00) KMT2AMEN1PKMNPSR1GRIK1
SCHEMBL2935687 0.82 MEN1 (0.69) KMT2AMEN1PKMNPSR1GRIK1
SCHEMBL2269165 0.82 MEN1 (0.69) KMT2AMEN1PKMNPSR1ALDH1A1
SCHEMBL2271007 0.82 MEN1 (0.69) KMT2AMEN1PKMNPSR1MAPT
SCHEMBL11228267 0.82 MEN1 (0.69) KMT2AMEN1PKMNPSR1GRIK1

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 KMT2A 1570/4885MEN1 2312/4885PKM 40/4885

“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.

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