SCHEMBL8256296

SCHEMBL8256296

CC(=O)NCc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 4/20 0.47
USP25 Q9UHP3 2/20 0.47
MAPKAPK2 P49137 1/20 0.45
TRPV1 Q8NER1 3/20 0.45
KMT2A Q03164 1/20 0.42
HTR6 P50406 1/20 0.41
LMNA P02545 2/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
MAOB P27338 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8250931 0.85 TSHR (0.50) USP28USP25MAPKAPK2TRPV1KMT2A
SCHEMBL4003149 0.84 ALDH1A1 (0.50) USP28USP25MAPKAPK2TRPV1KMT2A
SCHEMBL8256168 0.79 KMT2A (0.52) KMT2ALMNAMAPTALDH1A1
SCHEMBL8259601 0.79 RORC (0.42) USP28USP25MAPKAPK2KMT2AHTR6
SCHEMBL8567051 0.78 HTR2A (0.56) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL8250737 0.78 HTR6 (0.45) USP28USP25MAPKAPK2HTR6LMNA
SCHEMBL18052714 0.78 HTR6 (0.50) USP28USP25HTR6MAPTALDH1A1
SCHEMBL8257753 0.78 TSHR (0.47) MAPKAPK2HTR6ALDH1A1
SCHEMBL8256074 0.77 MAPKAPK2 (0.55) MAPKAPK2KMT2AMAOAMAPTKDM4E
SCHEMBL3582354 0.77 POLB (0.54) USP28USP25MAPKAPK2LMNAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US 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-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
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 USP28 4123/4885USP25 3876/4885MAPKAPK2 2250/4885

“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.