SCHEMBL1827779

SCHEMBL1827779

COCc1nc(-n2cncn2)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4D Q08499 3/20 0.35
CD38 P28907 1/20 0.35
NTRK1 P04629 2/20 0.34
RAB9A P51151 1/20 0.33
NAMPT P43490 1/20 0.33
EPHX2 P34913 2/20 0.33
PIK3CD O00329 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL1825681 0.88 PDE2A (0.38) PDE2APDE4DNAMPTEPHX2PIK3CD
SCHEMBL1822437 0.85 PDE2A (0.43) PDE2APDE4DNAMPTEPHX2PIK3CD
SCHEMBL1822485 0.82 PDE2A (0.38) PDE2ANAMPTEPHX2MAPT
SCHEMBL8491301 0.76 F9 (0.42) PDE2AMEN1KMT2AMAPT
SCHEMBL1824077 0.76 MAPT (0.35) MEN1KMT2ACD38MAPT
SCHEMBL1822657 0.76 STING1 (0.40) MEN1KMT2ACD38MAPT
SCHEMBL1825085 0.75 MAPT (0.38) MEN1KMT2ACD38MAPT
Hydrochloric Acid SCHEMBL1825087 0.75 STING1 (0.39) MEN1KMT2ACD38MAPT
SCHEMBL8525069 0.74 HCRTR1 (0.44) PDE2AMEN1KMT2ANAMPTEPHX2
SCHEMBL1826191 0.74 CD38 (0.36) MEN1KMT2APDE4DCD38MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2185536-B1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-05-04 EP disclosed
EP-2185536-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES Bayer CropScience AG (DE) 2010-05-19 EP disclosed
WO-2009018925-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2009-02-12 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-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK PDE2A 2592/4885MEN1 4606/4885KMT2A 590/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK PDE2A 2455/4885MEN1 4695/4885KMT2A 577/4885

“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.