SCHEMBL5032062

SCHEMBL5032062

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CCNE2 O96020 4/20 0.33
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL5015654 0.88 MEN1 (0.34) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL83292 0.87 GSK3A (0.36) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL82344 0.85 HDAC1 (0.35) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL5027073 0.85 CCNE2 (0.35) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL5032065 0.84 CSF1R (0.37) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL5014878 0.84 HDAC6 (0.34) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL5027706 0.83 CCNE2 (0.38) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL5028848 0.82 JAK2 (0.38) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL83895 0.82 MEN1 (0.42) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL80202 0.81 CCNE2 (0.34) HDAC1HDAC6CCNE2CCNE1CDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 HDAC1 680/4885HDAC6 499/4885CCNE2 2670/4885

“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.