SCHEMBL2455832

SCHEMBL2455832

O=S(=O)(Nc1nc2ccnc(Cl)c2c2cc(F)ccc12)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
JAK2 O60674 8/20 0.39
PIK3CA P42336 2/20 0.38
KIT P10721 1/20 0.37
MAP4K4 O95819 1/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PIK3C3 Q8NEB9 2/20 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
SCHEMBL2458124 0.79 JAK2 (0.62) FKBP1AJAK2
SCHEMBL2463516 0.73 MAPT (0.37) ALDH1A1LMNAMAPK1JAK2
SCHEMBL22315385 0.65 FKBP1A (0.56) FKBP1AGLAKMT2AALDH1A1ALOX5AP
SCHEMBL2457480 0.64 LRRK2 (0.36) JAK2ALOX5APFEN1
SCHEMBL12761928 0.60 PSEN1 (0.43) FKBP1AGLAKMT2AALDH1A1ALOX5AP
SCHEMBL2877424 0.60 DHODH (0.39) ALDH1A1MAPK1
SCHEMBL30988530 0.59 PIK3C3 (0.46) FKBP1AGLAKMT2AALDH1A1LMNA
SCHEMBL1381409 0.59 FKBP1A (0.44) FKBP1AGLAKMT2AALDH1A1LMNA
SCHEMBL2462732 0.59 NR4A2 (0.42) KMT2ALMNAMAPK1
SCHEMBL6095881 0.58 FKBP1A (0.50) FKBP1AGLAKMT2AALDH1A1LMNA

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-8329722-B2 Inhibitors of janus kinases and/or 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2012-12-11 US disclosed
EP-2134346-B1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME (US) 2011-09-21 EP disclosed
US-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
EP-2134346-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 Merck & Co., Inc. (US) 2009-12-23 EP disclosed
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 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-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 JAK2, PDK1, JAK1 FKBP1A 918/4885GLA 4391/4885KMT2A 766/4885

“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.