SCHEMBL840048

SCHEMBL840048

O=S1(=O)CCN(Cc2cccc(Br)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
FAAH O00519 1/20 0.52
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.49
CXCR4 P61073 2/20 0.46
MEN1 O00255 1/20 0.44
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
JAK1 P23458 3/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
SLC2A1 P11166 1/20 0.36
LTA4H P09960 1/20 0.35
JAK2 O60674 2/20 0.35
TYK2 P29597 2/20 0.35
STK10 O94804 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
SCHEMBL5253618 0.81 FAAH (0.54) FAAHLMNAKDM4ECXCR4ACHE
SCHEMBL839038 0.80 FAAH (0.53) CYP2C19FAAHKDM4ECXCR4ACHE
SCHEMBL15652638 0.78 KMT2A (0.55) KMT2ACYP1A2CYP2C19FAAHLMNA
SCHEMBL29462386 0.78 FAAH (0.54) KMT2ACYP1A2CYP2C19FAAHKDM4E
SCHEMBL838783 0.78 FAAH (0.51) KMT2AFAAHNPC1KDM4ERAB9A
SCHEMBL465778 0.78 CXCR4 (0.77) KMT2AFAAHKDM4ECXCR4MEN1
SCHEMBL3853383 0.78 CXCR4 (0.65) KMT2AFAAHLMNACXCR4MEN1
SCHEMBL5255062 0.78 FAAH (0.54) KMT2ACYP1A2CYP2C19FAAHKDM4E
SCHEMBL31372331 0.78 CXCR4 (0.77) KMT2AFAAHKDM4ECXCR4MEN1
SCHEMBL21043975 0.76 FAAH (0.63) KMT2ACYP2C19FAAHKDM4ECXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
EP-2278969-A2 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 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 (2 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-20110166129-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 KMT2A 602/4885CYP1A2 3844/4885CYP2C19 3017/4885
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 KMT2A 1921/4885CYP1A2 2378/4885CYP2C19 2042/4885

“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.