SCHEMBL83293

SCHEMBL83293

CCNC(=O)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC1 Q13547 3/20 0.38
CSF1R P07333 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NAMPT P43490 1/20 0.34
RPS6KB1 P23443 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL5027077 0.91 HDAC6 (0.36) HDAC6HDAC1CSF1RCCNE2CCNE1
SCHEMBL5027708 0.89 HDAC6 (0.39) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL80203 0.87 HDAC6 (0.34) HDAC6HDAC1CSF1RCCNE2CCNE1
SCHEMBL82345 0.86 CSF1R (0.39) HDAC6HDAC1CSF1RCCNE2CCNE1
SCHEMBL79960 0.86 HDAC6 (0.34) HDAC6HDAC1CSF1RCCNE2CCNE1
SCHEMBL5032065 0.85 CSF1R (0.37) HDAC6HDAC1CSF1RCCNE2CCNE1
SCHEMBL5014883 0.85 CSF1R (0.36) HDAC6HDAC1CSF1RCCNE2CCNE1
SCHEMBL79935 0.83 CSF1R (0.39) HDAC6HDAC1CSF1RCCNE2CCNE1
SCHEMBL5015656 0.83 CSF1R (0.39) HDAC6HDAC1CSF1RCCNE2CCNE1
SCHEMBL5028849 0.83 FLT3 (0.37) HDAC6HDAC1CSF1RCCNE2CCNE1

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 3 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
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (2 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 GSK3A 350/4885GSK3B 275/4885HDAC6 900/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 GSK3A 229/4885GSK3B 220/4885HDAC6 499/4885

“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.