SCHEMBL83292

SCHEMBL83292

CCNC(=O)N(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
CCNE2 O96020 5/20 0.35
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
PTGIR P43119 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL5027073 0.91 CCNE2 (0.35) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL5027706 0.89 CCNE2 (0.38) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL80202 0.88 CCNE2 (0.34) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL82344 0.87 HDAC1 (0.35) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL5032062 0.87 HDAC1 (0.34) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL79959 0.87 PTGIR (0.33) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL5014878 0.86 HDAC6 (0.34) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL5015654 0.85 MEN1 (0.34) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL5028848 0.84 JAK2 (0.38) HDAC6HDAC1CCNE2CCNE1CDK2
SCHEMBL83895 0.84 MEN1 (0.42) HDAC6HDAC1CCNE2CCNE1CDK2

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.