SCHEMBL1592875

SCHEMBL1592875

COc1ccc(Cn2nc(OC)c3cc(NC(=O)O)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 6/20 0.45
▸ AKR1C3 P42330 4/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL1592988 0.93 MEN1 (0.47) NR3C1PTGDR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1593855 0.87 PTGDR2 (0.44) NR3C1AKR1C3PTGDR2ALDH1A1MAPT
SCHEMBL28431943 0.84 PDE1B (0.49) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL28425625 0.83 PDE1B (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ACNR1
SCHEMBL28428236 0.81 PDE1B (0.47) NR3C1AKR1C3ALDH1A1MAPTSMN1; SMN2
SCHEMBL24566406 0.81 CNR1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL28431878 0.81 CNR1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL1593157 0.81 MEN1 (0.44) NR3C1PTGDR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1593023 0.78 CNR1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL1592906 0.78 PDE1B (0.55) ALDH1A1MAPTSMN1; SMN2LMNAHSD17B10

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-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 — — US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 — — EP disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 — — US disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 — — 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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF NR3C1 1529/4885AKR1C3 440/4885PTGDR2 2285/4885

“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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