SCHEMBL15907696

SCHEMBL15907696

Cc1cnc2c(c1)cc(I)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.45
BRD4 O60885 2/20 0.39
NOD1 Q9Y239 3/20 0.38
ALDH3A1 P30838 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CYP1A2 P05177 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CXCL8 P10145 2/20 0.37
GAA P10253 2/20 0.36
NOD2 Q9HC29 1/20 0.36
CYP2C19 P33261 1/20 0.36
SRC P12931 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL1772184 0.84 NOD1 (0.43) BRD4NOD1ALDH3A1HTTCXCL8
SCHEMBL18918873 0.84 ENPP3 (0.46) BRD4NOD1HTTCXCL8CYP2C19
SCHEMBL15907666 0.84 SLC40A1 (0.45) SLC40A1BRD4NOD1ALDH3A1HTT
SCHEMBL1778953 0.84 NR1H2 (0.43) BRD4NOD1ALDH3A1HTTPOLB
SCHEMBL22494274 0.83 HTR6 (0.44) SLC40A1BRD4NOD1HTTPOLB
Hydrochloric Acid SCHEMBL15902396 0.83 NOD1 (0.42) BRD4NOD1ALDH3A1HTTCXCL8
SCHEMBL29956476 0.82 PTGER4 (0.37) BRD4NOD1PPARGPPARAPTGDR2
SCHEMBL15824091 0.81 CNR2 (0.41) NOD1POLBPTGDR2SRCMAPT
SCHEMBL1773798 0.80 ALDH1A1 (0.45) NOD1HTTPOLBPTGDR2GAA
SCHEMBL1748862 0.79 LMNA (0.41) NOD1ALDH3A1HTTPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-07-31 US 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-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA SLC40A1 4165/4885BRD4 2471/4885NOD1 4420/4885

“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.