SCHEMBL1593083

SCHEMBL1593083

O=[N+]([O-])c1cnc2[nH]nc(C3CCCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1593130 0.97 LMNA (0.36) LMNAMAPTPOLBGAAALDH1A1
SCHEMBL1592885 0.94 IDO1 (0.38) LMNAMAPTPOLBGAAALDH1A1
SCHEMBL1593354 0.84 IDO1 (0.35) LMNAMAPTPOLBGAAALDH1A1
SCHEMBL1593068 0.80 IDO1 (0.35) LMNAMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL1593067 0.80 IDO1 (0.35) LMNAMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL1592970 0.79 IDO1 (0.35) MAPTPOLBALDH1A1SMN1; SMN2IDO1
SCHEMBL1593132 0.78 MAPT (0.46) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL1593008 0.76 HPGDS (0.35) MAPTKDM4E
SCHEMBL14236122 0.75 IDO1 (0.42) LMNAMAPTPOLBALDH1A1IDO1
SCHEMBL1593117 0.75 IDO1 (0.53) LMNAMAPTPOLBALDH1A1IDO1

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 LMNA 1855/4885MAPT 946/4885POLB 1749/4885

“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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