SCHEMBL3242322

SCHEMBL3242322

Cc1cc(C2(c3cccc(O)c3)NC(NC(=O)O)c3ncccc32)cc(C)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RIPK1 Q13546 1/20 0.30
CBLB Q13191 1/20 0.30

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
SCHEMBL3244383 0.88 MEN1 (0.30) MEN1KMT2A
SCHEMBL3244258 0.83 HDAC4 (0.37)
SCHEMBL3242226 0.82 PIK3CD (0.33) PIK3CDPIK3CAPIK3CGRIPK1
SCHEMBL3248775 0.75 SCN9A (0.33)
SCHEMBL3242312 0.67 BACE1 (0.33) PIK3CDPIK3CAPIK3CG
SCHEMBL3358047 0.66 BACE1 (0.46)
SCHEMBL3239041 0.63 BACE1 (0.36)
SCHEMBL3242222 0.62 BACE1 (0.44) KMT2APIK3CDPIK3CAPIK3CG
SCHEMBL15063694 0.53 ESR1 (0.41) MEN1KMT2ALMNATP53
SCHEMBL27517722 0.53 DHFR (0.51) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO 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 (2 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 MEN1 2636/4885KMT2A 3762/4885PIK3CD 540/4885
US-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 MEN1 2423/4885KMT2A 3888/4885PIK3CD 614/4885

“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.