SCHEMBL8415604

SCHEMBL8415604

Nc1cc(F)c(N2CCCCC2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 4/20 0.49
HTT P42858 3/20 0.49
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
S100B P04271 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
NR1I2 O75469 2/20 0.43
SMARCA2 P51531 2/20 0.43
SMARCA4 P51532 2/20 0.43
PBRM1 Q86U86 2/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.43
KDM4E B2RXH2 3/20 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
SCHEMBL8074290 0.85 ALDH1A1 (0.55) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL8068958 0.85 ALDH1A1 (0.55) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL6204539 0.85 TSHR (0.49) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL238269 0.83 ALDH1A1 (0.53) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL29728648 0.83 ALDH1A1 (0.53) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL25539403 0.83 TSHR (0.47) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL8059865 0.83 ALDH1A1 (0.52) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL23759791 0.79 TSHR (0.55) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL23043619 0.77 ALDH1A1 (0.59) ALDH1A1GAAHTTMAPTS100B
SCHEMBL21262289 0.75 ALDH1A1 (0.56) ALDH1A1GAAHTTTSHRMAPT

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-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ALDH1A1 892/4885GAA 2805/4885HTT 381/4885

“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.