SCHEMBL3588100

SCHEMBL3588100

CC(C)(c1cc(N2CCOCC2)nc(Cl)n1)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.54
MTOR P42345 2/20 0.54
ATR Q13535 2/20 0.54
HRH4 Q9H3N8 2/20 0.50
PIK3R1 P27986 2/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PIK3CD O00329 1/20 0.42
AKT1 P31749 1/20 0.42
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8214568 0.88 HRH4 (0.49) PIK3CAMTORATRHRH4PIK3R1
SCHEMBL8219150 0.83 HRH4 (0.44) PIK3CAMTORATRHRH4PIK3R1
SCHEMBL738503 0.82 PIK3CA (0.63) PIK3CAATRPIK3R1PIK3CD
SCHEMBL11898379 0.82 PIK3CA (0.63) PIK3CAATRPIK3R1PIK3CD
SCHEMBL24173907 0.82 PIK3CA (0.63) PIK3CAATRPIK3R1PIK3CD
SCHEMBL3404233 0.81 HRH4 (0.55) PIK3CAATRHRH4POLBKMT2A
SCHEMBL28451803 0.80 KMT2A (0.50) PIK3CAMTORATRHRH4PIK3R1
SCHEMBL8217236 0.80 PIK3CA (0.44) PIK3CAMTORATRHRH4PIK3R1
SCHEMBL17859747 0.79 PIK3CA (0.56) PIK3CAMTORATRHRH4PIK3R1
SCHEMBL3607318 0.77 PIK3CA (0.58) PIK3CAMTORATRPIK3R1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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 (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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885MTOR 3/4885ATR 1452/4885

“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.