SCHEMBL6850487

SCHEMBL6850487

C/C(=N\O)c1cc(Br)c(F)cc1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.51
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH2 P05091 1/20 0.33
ALDH1A3 P47895 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL12004629 1.00 MGLL (0.51) MGLLESR1ESR2MEN1KMT2A
SCHEMBL30204833 0.81 ESR1 (0.42) MGLLESR1ESR2MEN1KMT2A
SCHEMBL12016645 0.79 MGLL (0.53) MGLLESR1ESR2MEN1KMT2A
SCHEMBL19383341 0.78 MGLL (0.51) MGLLESR1ESR2MEN1KMT2A
SCHEMBL1228531 0.77 HTT (0.46) MEN1KMT2AALDH1A1MAPTCYP2D6
SCHEMBL6851403 0.77 KDM1A (0.33)
SCHEMBL722484 0.76 ESR1 (0.43) MGLLESR1ESR2MEN1KMT2A
SCHEMBL722486 0.76 ESR1 (0.43) MGLLESR1ESR2MEN1KMT2A
SCHEMBL29434876 0.75 MGLL (0.49) MGLLESR1ESR2ALDH1A1MAPT
SCHEMBL29434854 0.75 MGLL (0.49) MGLLESR1ESR2ALDH1A1MAPT

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
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 WO disclosed
EP-2462144-B1 PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-20120220769-A1 PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE SCHERING CORPORATION (US) 2012-08-30 US disclosed
US-20120220769-A1 PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE SCHERING CORPORATION (US) 2012-08-30 US disclosed
WO-2011017299-A2 PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE SCHERING CORPORATION (US) 2011-02-10 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-20120220769-A1 PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE UMPS, AZI2, TYMS MGLL 4484/4885ESR1 4307/4885ESR2 4459/4885

“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.