SCHEMBL6850467

SCHEMBL6850467

Cc1noc2cc(F)c(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.33
GRM4 Q14833 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
SCHEMBL20512889 0.93 BRD4 (0.41) BRD4CHRNB2CHRNA4HTTCYP1A2
SCHEMBL8418298 0.81 BRD4 (0.44) BRD4CHRNB2CHRNA4CYP1A2GRM4
SCHEMBL31289217 0.78 IDO1 (0.40)
SCHEMBL14561784 0.78 CHRNB2 (0.44) BRD4CHRNB2CHRNA4CYP1A2GRM4
SCHEMBL14561721 0.78 CHRNB2 (0.41) BRD4CHRNB2CHRNA4CYP1A2GRM4
SCHEMBL6850450 0.78 CHRNB2 (0.41) BRD4CHRNB2CHRNA4CYP1A2GRM4
SCHEMBL17307553 0.78 BRD4 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL17215283 0.78 ESR1 (0.42) BRD4CHRNB2CHRNA4CYP1A2GRM4
SCHEMBL31716440 0.77 GRM4 (0.33) GRM4
SCHEMBL8256637 0.77 BRD4 (0.48) BRD4CHRNB2CHRNA4

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 BRD4 997/4885CHRNB2 3616/4885CHRNA4 2229/4885

“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.