SCHEMBL5027403

SCHEMBL5027403

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNE2 O96020 3/20 0.33
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 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
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 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
SCHEMBL5015388 0.89 ALDH1A1 (0.35) L3MBTL1ALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL5015440 0.79 CYP2C19 (0.41) ALDH1A1SMN1; SMN2CCNE2CCNE1CDK2
SCHEMBL5027404 0.77 MAPK1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL17241295 0.71 CCNE2 (0.31) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL25185016 0.69 HDAC3 (0.44) L3MBTL1ALDH1A1TDP1POLBKMT2A
SCHEMBL5015392 0.67 SYK (0.39) POLBKMT2AHDAC3HDAC4HDAC1
SCHEMBL1560439 0.66 AKT2 (0.41) L3MBTL1TDP1POLBHDAC3HDAC4
Diphenylacetic Acid SCHEMBL8513250 0.65 SRC (0.62) L3MBTL1TDP1POLBKMT2AHDAC3
Diphenylacetic Acid SCHEMBL38022 0.65 SRC (0.62) L3MBTL1TDP1POLBKMT2AHDAC3
SCHEMBL5015437 0.64 MAPT (0.40) KMT2ACCNE2CCNE1CDK2CCNB2

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 L3MBTL1 4035/4885ALDH1A1 3275/4885SMN1; SMN2 1564/4885

“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.