SCHEMBL1593833

SCHEMBL1593833

COc1ccc(Cn2nc(OCC3CCC3)c3cc(N)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.42
▸ CNR1 P21554 3/20 0.42
▸ PDE1B Q01064 5/20 0.39
▸ ACHE P22303 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ PDE1A P54750 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CCNA2 P20248 1/20 0.35

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
SCHEMBL1593023 0.85 CNR1 (0.47) CNR2CNR1PDE1BACHEPDE5A
SCHEMBL1593142 0.84 CNR1 (0.47) CNR2CNR1PDE1BACHEPDE5A
SCHEMBL1593950 0.84 CNR2 (0.56) CNR2CNR1PDE1BACHEPDE5A
SCHEMBL1594020 0.82 CNR1 (0.46) CNR2CNR1PDE1BACHEPDE5A
SCHEMBL1593160 0.77 MAPT (0.43) CNR2CNR1PDE1BPDE5AALDH1A1
SCHEMBL29872415 0.74 PDE1B (0.40) CNR2CNR1PDE1BPDE5AALDH1A1
SCHEMBL24566406 0.72 CNR1 (0.50) CNR2CNR1PDE1BPDE5AALDH1A1
SCHEMBL1592906 0.72 PDE1B (0.55) CNR2CNR1PDE1BPDE5AALDH1A1
SCHEMBL28431878 0.72 CNR1 (0.47) CNR2CNR1PDE1BPDE5AALDH1A1
SCHEMBL1592961 0.71 PDE1B (0.53) CNR2CNR1PDE1BPDE5AALDH1A1

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 CNR2 3546/4885CNR1 3221/4885PDE1B 370/4885

“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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