SCHEMBL1301036

SCHEMBL1301036

COc1nc2c(cc1NCc1ccc(C)cc1)c(=O)c(C(=O)O)cn2C(CO[Si](C)(C)C(C)(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.33
▸ PDE9A O76083 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ RIOX2 Q8IUF8 1/20 0.32
▸ KDM8 Q8N371 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ METTL3 Q86U44 1/20 0.31
▸ PLK1 P53350 1/20 0.30
▸ TP53 P04637 2/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ POLB P06746 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
SCHEMBL1301348 0.88 METTL3 (0.40) PDE10APDE9AKDM4EASPHRIOX2
SCHEMBL1301351 0.88 METTL3 (0.40) PDE10APDE9AKDM4EASPHRIOX2
SCHEMBL1300004 0.86 PDE4B (0.33) KDM4EADORA3ADORA2AADORA1METTL3
SCHEMBL1301866 0.84 METTL3 (0.34) KDM4EMETTL3
SCHEMBL1302057 0.82 METTL3 (0.33) KDM4EMETTL3
SCHEMBL1300512 0.82 METTL3 (0.33) KDM4EMETTL3
SCHEMBL1300970 0.81 GAA (0.41) KDM4EPIK3CDPIK3CAPIK3CBTP53
SCHEMBL1300641 0.81 METTL3 (0.44) PDE9AKDM4EASPHRIOX2KDM8
SCHEMBL1300646 0.81 METTL3 (0.44) PDE9AKDM4EASPHRIOX2KDM8
SCHEMBL1300518 0.81 METTL3 (0.36) KDM4EMETTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — 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 (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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP PDE10A 2011/4885PDE9A 1229/4885KDM4E 656/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP PDE10A 2011/4885PDE9A 1229/4885KDM4E 656/4885

“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.

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