SCHEMBL8226409

SCHEMBL8226409

CC(C)c1cc2oc(N(C)C)nc2cc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
EIF4A3 P38919 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL8221710 0.79 L3MBTL1 (0.39) HDAC6KDM4EALDH1A1MAPTIKBKE
SCHEMBL14561832 0.78 PIK3CA (0.36) PIK3CAKDM4EALDH1A1LMNAMAPT
SCHEMBL8226457 0.75 HDAC6 (0.37) HDAC6LMNAMAPTIKBKETBK1
SCHEMBL8226679 0.75 GAA (0.40) HDAC6KDM4EALDH1A1LMNAMAPT
SCHEMBL8226625 0.75 HDAC6 (0.33) HDAC6KDM4EMAPTIKBKETBK1
SCHEMBL8229187 0.74 HDAC6 (0.36) HDAC6KDM4EMAPTIKBKETBK1
SCHEMBL8226646 0.73 HDAC6 (0.40) HDAC6KDM4EALDH1A1IKBKETBK1
SCHEMBL8226718 0.73 CHRNB2 (0.35) HDAC6MAPTIKBKETBK1RAB9A
SCHEMBL8221284 0.73 HDAC6 (0.36) HDAC6LMNAIKBKETBK1EIF4A3
SCHEMBL8221308 0.72 L3MBTL1 (0.39) HDAC6KDM4EALDH1A1MAPTIKBKE

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 PIK3CA 1599/4885HDAC6 1326/4885KDM4E 4651/4885

“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.