SCHEMBL13852006

SCHEMBL13852006

O=C(Nc1ccc2scnc2c1C1CCN(C/C=C/c2ccc(OC(F)(F)F)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 4/20 0.34
ABL1 P00519 3/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPK7 Q13164 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
P2RY1 P47900 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCR3 P51677 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4172380 0.90 MCHR1 (0.40) KMT2AMCHR1CCR3SMN1; SMN2
SCHEMBL4172390 0.90 MCHR1 (0.40) KMT2AMCHR1CCR3SMN1; SMN2
SCHEMBL13852007 0.89 MCHR1 (0.37) KMT2AMCHR1KCNH2CCR3SMN1; SMN2
SCHEMBL13852011 0.79 MCHR1 (0.40) KMT2AMCHR1CCR3SMN1; SMN2
SCHEMBL952075 0.78 KDM4E (0.43) GSK3AGSK3BKMT2AMCHR1ABL1
SCHEMBL952076 0.78 KDM4E (0.43) GSK3AGSK3BKMT2AMCHR1ABL1
SCHEMBL13852013 0.78 MCHR1 (0.41) KMT2AMCHR1KCNH2CCR3SMN1; SMN2
SCHEMBL953632 0.77 KMT2A (0.39) GSK3AGSK3BKMT2AMCHR1PLA2G1B
SCHEMBL953633 0.77 KMT2A (0.39) GSK3AGSK3BKMT2AMCHR1PLA2G1B
SCHEMBL955162 0.77 KMT2A (0.43) KMT2ASMN1; SMN2

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-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 US disclosed
WO-2007072143-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-06-28 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 (3 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-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 GSK3A 3689/4885GSK3B 3734/4885KMT2A 843/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX GSK3A 2324/4885GSK3B 2362/4885KMT2A 418/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 GSK3A 3447/4885GSK3B 3513/4885KMT2A 990/4885

“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.