SCHEMBL3511207

SCHEMBL3511207

OCCn1cc(-c2cccc(Br)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
PIM1 P11309 2/20 0.44
PDK2 Q15119 5/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
RORC P51449 1/20 0.41
MET P08581 4/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
FEN1 P39748 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL3806972 0.83 PDK2 (0.45) PIM1PDK2JAK2JAK1TYK2
SCHEMBL29265650 0.79 JAK2 (0.47) PIM1PDK2JAK2JAK1TYK2
SCHEMBL3508335 0.76 PIM1 (0.51) PIM1PIM3PIM2FGFR1FGFR2
SCHEMBL13117201 0.76 SYK (0.44) PIM1PDK2JAK2JAK1TYK2
SCHEMBL3508039 0.75 MAPT (0.41)
SCHEMBL11826508 0.73 L3MBTL1 (0.61) PDK2METFGFR1FGFR2FGFR4
SCHEMBL3356524 0.72 ADORA2A (0.47) METKDR
SCHEMBL27853688 0.71 KIT (0.44) PIM1PDK2JAK2JAK1TYK2
SCHEMBL26529057 0.70 KDM5B (0.44) PIM1PDK2JAK2JAK1TYK2
SCHEMBL31086958 0.69 KIT (0.45) PDK2METFEN1KDM5BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 TGFBR1 2974/4885PIM1 36/4885PDK2 25/4885

“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.