SCHEMBL8226402

SCHEMBL8226402

CC(C)c1cc(-c2noc(C(=O)NC3CC3)n2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 8/20 0.47
▸ MAPK14 Q16539 1/20 0.45
▸ SMYD3 Q9H7B4 1/20 0.45
▸ HDAC6 Q9UBN7 5/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ NPY5R Q15761 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
SCHEMBL8421890 0.85 MAPK14 (0.53) HDAC4MAPK14SMYD3HDAC6POLB
SCHEMBL8281127 0.83 HDAC4 (0.49) HDAC4MAPK14SMYD3HDAC6NPC1
SCHEMBL8221034 0.76 HDAC4 (0.46) HDAC4MAPK14SMYD3HDAC6
SCHEMBL8226263 0.74 HDAC4 (0.56) HDAC4HDAC6
SCHEMBL8221319 0.72 L3MBTL1 (0.54) NPC1RAB9AKMT2ATSHRSMN1; SMN2
SCHEMBL105413 0.71 TAS1R3 (0.53) MAPK14NPC1RAB9AKMT2AMCHR1
SCHEMBL8221535 0.69 ABCB1 (0.44) HDAC4HDAC6
SCHEMBL29082307 0.69 RAB9A (0.47) HDAC4MAPK14SMYD3HDAC6NPC1
SCHEMBL30685468 0.69 RAB9A (0.47) HDAC4MAPK14SMYD3HDAC6NPC1
SCHEMBL29082305 0.69 RAB9A (0.47) HDAC4MAPK14SMYD3HDAC6NPC1

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 HDAC4 3302/4885MAPK14 4287/4885SMYD3 4852/4885

“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.

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