SCHEMBL8439636

SCHEMBL8439636

O=S(O)Cc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.43
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 2/20 0.41
USP28 Q96RU2 4/20 0.41
OPRL1 P41146 3/20 0.41
USP25 Q9UHP3 2/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACLY P53396 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL8250737 0.81 HTR6 (0.45) MAPKAPK2HTR6ALDH1A1USP28OPRL1
SCHEMBL12828065 0.79 HTR6 (0.46) MAPKAPK2HTR6ALDH1A1USP28OPRL1
SCHEMBL5023862 0.78 ALDH1A1 (0.45) MAPKAPK2HTR6ALDH1A1USP28OPRL1
SCHEMBL18052714 0.78 HTR6 (0.50) HTR6ALDH1A1USP28OPRL1USP25
SCHEMBL8256296 0.75 USP28 (0.47) MAPKAPK2HTR6ALDH1A1USP28USP25
SCHEMBL8250845 0.74 HTR6 (0.54) MAPKAPK2HTR6OPRL1MAPTLMNA
SCHEMBL8437508 0.74 ALDH1A1 (0.49) MAPKAPK2HTR6ALDH1A1OPRL1MAPT
SCHEMBL8259609 0.74 ALDH1A1 (0.58) HTR6ALDH1A1MAPTLMNAGAA
SCHEMBL8250929 0.74 HTR6 (0.43) MAPKAPK2HTR6ALDH1A1USP28OPRL1
SCHEMBL8250761 0.74 HTR6 (0.45) MAPKAPK2HTR6ALDH1A1USP28OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPKAPK2 2250/4885HTR6 44/4885ALDH1A1 591/4885

“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.