SCHEMBL1593354

SCHEMBL1593354

O=[N+]([O-])c1cnc2[nH]nc(C3CCOC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ CSF1R P07333 2/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ CCR2 P41597 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAP3K12 Q12852 2/20 0.30

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
SCHEMBL1592885 0.86 IDO1 (0.38) IDO1ALDH1A1HPGDMAPK1HTT
SCHEMBL1593130 0.84 LMNA (0.36) IDO1ALDH1A1HPGDMAPK1HTT
SCHEMBL1593083 0.84 LMNA (0.39) IDO1ALDH1A1HPGDMAPK1HTT
SCHEMBL1593138 0.79 PRMT5 (0.37) PRMT5WDR77MAP3K12
SCHEMBL1593068 0.75 IDO1 (0.35) IDO1ALDH1A1HPGDMAPK1HTT
SCHEMBL1593067 0.75 IDO1 (0.35) IDO1ALDH1A1HPGDMAPK1HTT
SCHEMBL1592970 0.74 IDO1 (0.35) IDO1ALDH1A1HPGDMAPK1HTT
SCHEMBL1593132 0.71 MAPT (0.46) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL1593233 0.71 BRAF (0.44) IDO1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL1593117 0.70 IDO1 (0.53) IDO1ALDH1A1HPGDMEN1KMT2A

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 IDO1 3410/4885PRMT5 2337/4885WDR77 2733/4885

“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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