SCHEMBL80202

SCHEMBL80202

O=C(NCCO)N(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
PTGIR P43119 4/20 0.33
HDAC6 Q9UBN7 5/20 0.33
HDAC1 Q13547 2/20 0.33
QPCT Q16769 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 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
SCHEMBL79959 0.90 PTGIR (0.33) CCNE2CCNE1CDK2PTGIRHDAC6
SCHEMBL5027073 0.90 CCNE2 (0.35) CCNE2CCNE1CDK2PTGIRHDAC6
SCHEMBL5027706 0.88 CCNE2 (0.38) CCNE2CCNE1CDK2HDAC6HDAC1
SCHEMBL83292 0.88 GSK3A (0.36) CCNE2CCNE1CDK2PTGIRHDAC6
SCHEMBL5014878 0.85 HDAC6 (0.34) CCNE2CCNE1CDK2HDAC6HDAC1
SCHEMBL82344 0.84 HDAC1 (0.35) CCNE2CCNE1CDK2HDAC6HDAC1
SCHEMBL83959 0.83 BTK (0.38) HDAC6QPCTPOLBHDAC2HDAC8
SCHEMBL80203 0.83 HDAC6 (0.34) CCNE2CCNE1CDK2HDAC6HDAC1
SCHEMBL83895 0.83 MEN1 (0.42) CCNE2CCNE1CDK2HDAC6HDAC1
SCHEMBL5014071 0.82 NPSR1 (0.34) CCNE2CCNE1CDK2HDAC6HDAC1

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 CCNE2 1718/4885CCNE1 1419/4885CDK2 109/4885

“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.