SCHEMBL3594428

SCHEMBL3594428

CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
CHRM3 P20309 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNN4 O15554 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL8911121 0.91 CYP2C9 (0.44) KMT2AMAPTMEN1RAB9ANPSR1
SCHEMBL2949855 0.91 CYP2C9 (0.44) KMT2AMAPTMEN1RAB9ANPSR1
SCHEMBL7951407 0.84 SLC6A4 (0.40) CYP2D6KMT2AMEN1RAB9ANPSR1
SCHEMBL2460578 0.81 KMT2A (0.39) CYP2C19HIF1ACHRM3CYP1A2CYP2D6
SCHEMBL27221203 0.81 KMT2A (0.39) CYP2C19HIF1ACHRM3CYP1A2CYP2D6
SCHEMBL3621683 0.81 KMT2A (0.39) CYP2C19HIF1ACHRM3CYP1A2CYP2D6
SCHEMBL23855513 0.77 AKT1 (0.45) KMT2AMEN1RAB9AHDAC3HDAC1
SCHEMBL9728563 0.77 GBA1 (0.39) CHRM3MAPTHTR2CSLC6A4L3MBTL1
SCHEMBL23572912 0.77 AKT1 (0.45) KMT2AMEN1RAB9AHDAC3HDAC1
SCHEMBL754265 0.76 CYP1A2 (0.50) CYP2C19HIF1ACHRM3CYP1A2CYP2D6

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-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (GB) 2010-01-28 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-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MTOR, PIK3CA, PIK3CD CYP2C19 710/4885HIF1A 647/4885CHRM3 4526/4885

“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.