SCHEMBL2857258

SCHEMBL2857258

NC(=S)N1CCNC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
HSP90AA1 P07900 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PARP1 P09874 3/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TGM2 P21980 1/20 0.35
OR51E2 Q9H255 1/20 0.34

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
SCHEMBL28838729 0.83 KMT2A (0.56) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL163317 0.77 KMT2A (0.58) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL3907606 0.75 KMT2A (0.56) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL14001959 0.75 KMT2A (0.56) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL5005151 0.75 KMT2A (0.56) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL9828496 0.73 KMT2A (0.50) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL20038004 0.73 KMT2A (0.43) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL14562685 0.72 KMT2A (0.53) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL12208862 0.71 KMT2A (0.51) KMT2ARAB9AMEN1TSHRHSP90AA1
SCHEMBL12331457 0.71 KMT2A (0.51) KMT2ARAB9AMEN1TSHRHSP90AA1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-1854793-A1 NOVEL AMINOPYRIDINE COMPOUND WITH Syk INHIBITORY ACTIVITY Japan Tobacco, Inc. (JP) 2007-11-14 EP disclosed
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC. (JP) 2006-09-14 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 (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-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity SYK, BTK, ZAP70 KMT2A 1317/4885RAB9A 1894/4885MEN1 4612/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KMT2A 1707/4885RAB9A 4401/4885MEN1 4778/4885

“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.