SCHEMBL8436191

SCHEMBL8436191

COCCOc1c(C#N)ccc(C)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
SLC22A12 Q96S37 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
SRC P12931 2/20 0.32
TSHR P16473 1/20 0.32
EGLN2 Q96KS0 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
SCHEMBL13862091 0.83 AR (0.39) ARSQORSRCEGLN2
SCHEMBL8433030 0.80 SLC22A12 (0.38) ARSLC22A12TSHR
SCHEMBL20621316 0.78 TSHR (0.46) ARTSHR
SCHEMBL15337540 0.77 MAPT (0.36) TSHR
SCHEMBL30513214 0.76 AR (0.40) ARSQOR
SCHEMBL19880476 0.75 AR (0.37) ARSQORSRC
SCHEMBL8438702 0.74 RET (0.42)
SCHEMBL8436540 0.72 AR (0.45) ARSQORSRC
SCHEMBL16016038 0.71 TSHR (0.41) TSHR
SCHEMBL2135694 0.71 MRGPRX4 (0.48) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 AR 1363/4885SLC22A12 1992/4885SQOR 2898/4885

“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.