SCHEMBL3217020

SCHEMBL3217020

COc1ccc(N(Cc2cncnc2)c2cccc(C(=O)OC(C)(C)C)c2)cc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.37
PDE4B Q07343 2/20 0.37
PAX8 Q06710 1/20 0.34
RXRA P19793 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
VNN1 O95497 1/20 0.34
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
BUB1 O43683 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LTC4S Q16873 1/20 0.33
GRM2 Q14416 1/20 0.33
POLB P06746 1/20 0.32
QPCT Q16769 1/20 0.32

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
SCHEMBL3210241 0.92 RXRA (0.39) PDE4BPAX8RXRAALDH1A1MAPT
SCHEMBL3202213 0.91 PDE4B (0.38) SLC7A5PDE4BRXRAMAPTRXRB
SCHEMBL3133069 0.88 RXRA (0.42) PDE4BRXRAVNN1RXRBRXRG
SCHEMBL3195028 0.87 PDE4B (0.38) SLC7A5PDE4BKDM4EMAPTPOLB
SCHEMBL3122587 0.87 RXRA (0.36) SLC7A5PDE4BRXRAHPGDBUB1
SCHEMBL3205424 0.87 AAK1 (0.37) SLC7A5PDE4BRXRAALDH1A1KDM4E
SCHEMBL3204715 0.86 PDE4B (0.40) PDE4B
SCHEMBL3128958 0.85 GRM2 (0.37) PDE4BALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3121311 0.84 PDE4B (0.40) PDE4BRXRALTC4S
SCHEMBL3131424 0.84 PDE4B (0.43) PDE4B

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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B SLC7A5 3593/4885PDE4B 2/4885PAX8 4375/4885

“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.