SCHEMBL5015388

SCHEMBL5015388

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.33
CTSD P07339 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CNR1 P21554 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CCNE2 O96020 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
CCNB2 O95067 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5027403 0.89 L3MBTL1 (0.36) ALDH1A1L3MBTL1KMT2ACTSDGAA
SCHEMBL5015440 0.82 CYP2C19 (0.41) ALDH1A1CCNE2CCNE1CDK2CCNB2
SCHEMBL5015392 0.78 SYK (0.39) KMT2ACTSDMEN1GAAPOLB
SCHEMBL13731148 0.73 CTSD (0.38) ALDH1A1L3MBTL1HTTKMT2ACTSD
SCHEMBL29270208 0.73 CTSD (0.43) ALDH1A1L3MBTL1HTTKMT2ACTSD
SCHEMBL5014071 0.68 NPSR1 (0.34) ALDH1A1L3MBTL1HTTKMT2AMEN1
SCHEMBL6055220 0.68 MEN1 (0.43) ALDH1A1L3MBTL1HTTKMT2ACTSD
SCHEMBL9326757 0.68 MEN1 (0.43) ALDH1A1L3MBTL1HTTKMT2ACTSD
SCHEMBL5015437 0.68 MAPT (0.40) KMT2ACCNE2CCNE1CDK2CCNB2
SCHEMBL2492017 0.67 CTSD (0.43) ALDH1A1L3MBTL1HTTKMT2ACTSD

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 ALDH1A1 3275/4885L3MBTL1 4035/4885HTT 1530/4885

“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.