SCHEMBL3719199

SCHEMBL3719199

O=C([C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1)N1CCN(c2c(-c3ccccc3)cnc3[nH]nc(OC[C@H](O)CO)c23)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.44
▸ AKT2 P31751 3/20 0.44
▸ AKT3 Q9Y243 3/20 0.44
▸ SLC6A3 Q01959 5/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ RET P07949 1/20 0.35
▸ DHFR P00374 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3719193 1.00 AKT1 (0.44) AKT1AKT2AKT3SLC6A3SLC6A2
SCHEMBL3719200 1.00 AKT1 (0.44) AKT1AKT2AKT3SLC6A3SLC6A2
SCHEMBL11961245 1.00 AKT1 (0.44) AKT1AKT2AKT3SLC6A3SLC6A2
SCHEMBL11961825 0.94 AKT1 (0.37) AKT1AKT2AKT3SLC6A3SLC6A2
SCHEMBL27902769 0.87 MAPK1 (0.35) AKT1AKT2AKT3SLC6A3SLC6A2
SCHEMBL3732907 0.86 AKT1 (0.48) AKT1AKT2AKT3SLC6A3SLC6A2
SCHEMBL3732905 0.86 AKT1 (0.48) AKT1AKT2AKT3SLC6A3SLC6A2
SCHEMBL3739689 0.82 PIK3CD (0.39) LMNA
SCHEMBL3739679 0.82 PIK3CD (0.39) LMNA
SCHEMBL3739683 0.82 PIK3CD (0.39) LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 — — US disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 — — EP disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 — — US disclosed
EP-2242757-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 — — EP disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 — — 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-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 567/4885AKT2 594/4885AKT3 504/4885

“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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