SCHEMBL1773113

SCHEMBL1773113

Cc1cc2cc(N)cnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.43
NOD1 Q9Y239 2/20 0.43
HTR6 P50406 6/20 0.41
PKM P14618 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.40
GAA P10253 1/20 0.40
NOD2 Q9HC29 1/20 0.40
KLKB1 P03952 1/20 0.39
HTR2B P41595 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1772184 0.85 NOD1 (0.43) CXCL8NOD1HTR6PKMALDH1A1
Hydrochloric Acid SCHEMBL15902396 0.84 NOD1 (0.42) CXCL8NOD1HTR6PKMALDH1A1
SCHEMBL7515939 0.83 ENPP3 (0.50) CXCL8NOD1HTR6PKMALDH1A1
SCHEMBL1683406 0.81 HTR6 (0.46) CXCL8NOD1HTR6PKMALDH1A1
SCHEMBL1772632 0.79 ALDH1A1 (0.46) NOD1PKMALDH1A1SMN1; SMN2GAA
SCHEMBL1772416 0.78 CYP2C19 (0.56) HTR6PKMALDH1A1BRD4SLC40A1
SCHEMBL30337641 0.78 CYP2C19 (0.56) HTR6PKMALDH1A1BRD4SLC40A1
SCHEMBL23916331 0.77 NPC1 (0.46) HTR6PKMALDH1A1KDM4ESMN1; SMN2
SCHEMBL1962403 0.76 CYP2C19 (0.61) HTR6PKMALDH1A1CYP2C19MEN1
SCHEMBL26969492 0.75 ALDH3A1 (0.44) CXCL8NOD1PKMALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CXCL8 4352/4885NOD1 3253/4885HTR6 4804/4885

“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.