SCHEMBL1593075

SCHEMBL1593075

Cc1ccc(S(=O)(=O)n2nc(OCC3COC3)c3cc([N+](=O)[O-])cnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
RAB9A P51151 2/20 0.36
CNR2 P34972 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CXCR5 P32302 1/20 0.36
APLNR P35414 1/20 0.36
CCR6 P51684 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
F2 P00734 2/20 0.34
GRM4 Q14833 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
SCHEMBL1495327 0.82 KMT2A (0.39) KMT2ARAB9ACNR2HSP90AA1CXCR5
SCHEMBL1495315 0.80 CHRNB2 (0.39) KMT2ARAB9ACNR2HSP90AA1CXCR5
SCHEMBL1593358 0.76 KMT2A (0.44) KMT2ARAB9AHSP90AA1CXCR5APLNR
SCHEMBL1496197 0.76 KMT2A (0.44) KMT2ARAB9AHSP90AA1CXCR5APLNR
SCHEMBL1593004 0.74 ALDH1A1 (0.40) KMT2ARAB9AHSP90AA1CXCR5APLNR
SCHEMBL1593233 0.68 BRAF (0.44) KMT2ACNR2MAPTALDH1A1GRM4
SCHEMBL1772133 0.67 MAPT (0.47) KMT2ARAB9AHSP90AA1CXCR5APLNR
SCHEMBL20292908 0.66 KMT2A (0.44) KMT2ARAB9AHSP90AA1CXCR5APLNR
SCHEMBL12696587 0.64 L3MBTL1 (0.57) KMT2ARAB9AHSP90AA1CXCR5APLNR
SCHEMBL29751701 0.64 L3MBTL1 (0.57) KMT2ARAB9AHSP90AA1CXCR5APLNR

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 KMT2A 3704/4885RAB9A 947/4885CNR2 3546/4885

“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.