SCHEMBL1593358

SCHEMBL1593358

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
HSP90AA1 P07900 2/20 0.44
CXCR5 P32302 1/20 0.44
APLNR P35414 1/20 0.44
RAB9A P51151 1/20 0.44
CCR6 P51684 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.40
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.38
KAT2B Q92831 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ACHE P22303 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CRHBP P24387 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
SCHEMBL1496197 0.86 KMT2A (0.44) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL1593632 0.82 MAPT (0.49) KMT2AALDH1A1LMNAMAPTPOLB
SCHEMBL1593116 0.81 MAPK1 (0.47) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL1495327 0.80 KMT2A (0.39) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL20292908 0.79 KMT2A (0.44) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL1593004 0.79 ALDH1A1 (0.40) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL1495315 0.78 CHRNB2 (0.39) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL1593075 0.76 KMT2A (0.36) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL30720200 0.75 L3MBTL1 (0.51) KMT2AGFERALDH1A1L3MBTL1MAPT
SCHEMBL1593280 0.75 L3MBTL1 (0.51) KMT2AGFERALDH1A1L3MBTL1MAPT

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 3704/4885HSP90AA1 1955/4885CXCR5 4485/4885

“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.