SCHEMBL80203

SCHEMBL80203

O=C(NCCO)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.34
HDAC1 Q13547 2/20 0.34
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 3/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CSF1R P07333 1/20 0.33
MEN1 O00255 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
NAMPT P43490 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL79960 0.89 HDAC6 (0.34) HDAC6HDAC1ROCK2ROCK1KMT2A
SCHEMBL5027077 0.89 HDAC6 (0.36) HDAC6HDAC1ROCK2ROCK1CSF1R
SCHEMBL5027708 0.87 HDAC6 (0.39) HDAC6HDAC1HTTALDH1A1NPC1
SCHEMBL83293 0.87 GSK3A (0.38) HDAC6HDAC1ROCK2ROCK1CSF1R
SCHEMBL5014883 0.84 CSF1R (0.36) HDAC6HDAC1ROCK2ROCK1CSF1R
SCHEMBL83960 0.83 KDM5B (0.40) HDAC6POLBHDAC2HDAC8
SCHEMBL80202 0.83 CCNE2 (0.34) HDAC6HDAC1KMT2AHTTALDH1A1
SCHEMBL82345 0.83 CSF1R (0.39) HDAC6HDAC1ROCK2ROCK1CSF1R
SCHEMBL81783 0.82 CSF1R (0.40) HDAC6HDAC1ROCK2ROCK1ALDH1A1
SCHEMBL79935 0.82 CSF1R (0.39) HDAC6HDAC1ROCK2ROCK1KMT2A

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-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD HDAC6 900/4885HDAC1 1013/4885ROCK2 840/4885

“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.