SCHEMBL12396262

SCHEMBL12396262

Cc1ccc(C=O)c(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
SLC9A3 P48764 2/20 0.41
SLC9A1 P19634 1/20 0.41
PARP1 P09874 1/20 0.41
CSNK2A1 P68400 1/20 0.41
ALDH1A1 P00352 4/20 0.41
ERN1 O75460 3/20 0.41
GRM2 Q14416 2/20 0.40
KDM4E B2RXH2 5/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
USP2 O75604 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL14289910 0.85 SRC (0.50) SRCSLC9A3SLC9A1PARP1CSNK2A1
SCHEMBL24822948 0.82 SRC (0.47) SRCSLC9A3SLC9A1CSNK2A1ALDH1A1
SCHEMBL547527 0.82 CSNK2A1 (0.57) SRCCSNK2A1ALDH1A1ERN1KDM4E
SCHEMBL11301716 0.80 SRC (0.46) SRCCSNK2A1ALDH1A1ERN1KDM4E
SCHEMBL29955834 0.78 TYR (0.43) PARP1ALDH1A1ERN1KDM4EHPGD
SCHEMBL24923915 0.78 SRC (0.44) SRCCSNK2A1ALDH1A1ERN1KDM4E
SCHEMBL25106844 0.78 CYP46A1 (0.50) SRCALDH1A1ERN1KDM4EGAA
SCHEMBL3402378 0.78 NFE2L2 (0.48) ALDH1A1GRM2KDM4EGAAHPGD
SCHEMBL27918002 0.77 KEAP1 (0.44) PARP1ALDH1A1ERN1KDM4E
SCHEMBL13365632 0.77 LRRK2 (0.47) ALDH1A1GAAHPGDMEN1KMT2A

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-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 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-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SRC 984/4885SLC9A3 4068/4885SLC9A1 4062/4885

“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.