SCHEMBL1593950

SCHEMBL1593950

COc1ccc(Cn2nc(OCC3CCC3)c3cc([N+](=O)[O-])cnc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.56
▸ ACHE P22303 5/20 0.45
▸ CNR1 P21554 3/20 0.45
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KAT2B Q92831 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDE1B Q01064 1/20 0.38

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
SCHEMBL1593833 0.84 CNR2 (0.42) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL1593522 0.84 CNR2 (0.50) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL1593005 0.80 MAPT (0.51) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL29873266 0.76 MAPT (0.45) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL29873129 0.72 MAPT (0.46) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL23069180 0.71 MAPT (0.50) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL29872970 0.70 MAPT (0.49) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL23176827 0.68 SMN1; SMN2 (0.44) CNR2CNR1MAPTSMN1; SMN2KMT2A
SCHEMBL1593023 0.68 CNR1 (0.47) CNR2ACHECNR1MAPTSMN1; SMN2
SCHEMBL24566406 0.68 CNR1 (0.50) CNR2CNR1MAPTSMN1; SMN2PDE5A

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 3546/4885ACHE 4879/4885CNR1 3221/4885

“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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