SCHEMBL12110612

SCHEMBL12110612

CCOC(=O)c1cn([C@H](CO)C(C)C)c2nc(OCC)c(NCc3ccc(F)cc3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNQ3 O43525 2/20 0.35
▸ KCNQ2 O43526 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SLC26A6 Q9BXS9 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35

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
SCHEMBL1301193 0.92 METTL3 (0.39) PDE4BTSHRALDH1A1ADORA3THRB
SCHEMBL1301188 0.92 METTL3 (0.39) PDE4BTSHRALDH1A1ADORA3THRB
SCHEMBL16302723 0.88 PDE4B (0.40) PDE4BTSHRALDH1A1ADORA3ADORA2A
SCHEMBL12110468 0.87 PDE10A (0.37) PDE4BALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL1300294 0.84 METTL3 (0.43) MAPTL3MBTL1KCNQ3KCNQ2TP53
SCHEMBL1300290 0.84 METTL3 (0.43) MAPTL3MBTL1KCNQ3KCNQ2TP53
SCHEMBL1301047 0.81 METTL3 (0.37) ALDH1A1CYP2C9NFKB1TBXA2RHSD17B10
SCHEMBL1301044 0.81 METTL3 (0.37) ALDH1A1CYP2C9NFKB1TBXA2RHSD17B10
SCHEMBL12110633 0.81 METTL3 (0.47) PDE4BTSHRALDH1A1MAPTKCNQ3
SCHEMBL1300004 0.81 PDE4B (0.33) PDE4BALDH1A1ADORA3ADORA2AADORA2B

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 PDE4B 1082/4885TSHR 4868/4885ALDH1A1 1976/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP PDE4B 1082/4885TSHR 4868/4885ALDH1A1 1976/4885

“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.

Send feedback