SCHEMBL3155322

SCHEMBL3155322

Cc1noc(C2CC2)c1CO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
PTGDR2 Q9Y5Y4 8/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
BRD4 O60885 2/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AR P10275 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL31526106 0.91 RET (0.36) RETPTGDR2MEN1KMT2AALDH1A1
SCHEMBL22996203 0.82 PTGDR2 (0.33) RETPTGDR2MEN1KMT2AALDH1A1
SCHEMBL3167531 0.81 PTGDR2 (0.32) RETPTGDR2MEN1KMT2AALDH1A1
SCHEMBL21908096 0.79 BRD4 (0.34) RETPTGDR2MEN1KMT2AALDH1A1
SCHEMBL21191135 0.78 RET (0.40) RETPTGDR2MEN1KMT2AALDH1A1
SCHEMBL21187584 0.78 RET (0.37) RETALDH1A1
SCHEMBL28791949 0.78 PTGDR2 (0.31) RETPTGDR2MEN1KMT2AALDH1A1
SCHEMBL22996181 0.78 RET (0.34) RETPTGDR2MEN1KMT2AALDH1A1
SCHEMBL18949092 0.77 RET (0.34) RETMEN1KMT2ABRD4TSHR
SCHEMBL24632337 0.77 RET (0.41) RETNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143994-A1 SUBSTITUTED PYRAZOLYL[4,3-C]PYRIDINECOMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 WO disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
CN-101052628-B Isoxazoline derivatives and herbicidal use thereof SYNGENTA LTD 2011-07-27 CN disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
EP-1789401-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-05-30 EP disclosed
WO-2006024820-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-03-09 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-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides MTX1, MTX2, CHRM1 RET 2181/4885PTGDR2 2345/4885MEN1 755/4885

“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.