SCHEMBL2887227

SCHEMBL2887227

[O]C(=O)c1cc2ccccc2cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
PDPK1 O15530 1/20 0.47
PLAU P00749 1/20 0.43
DPP4 P27487 1/20 0.43
EGFR P00533 2/20 0.42
CHRNA7 P36544 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 1/20 0.40
MTOR P42345 1/20 0.40
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
USP30 Q70CQ3 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL155043 0.83 EGLN1 (0.54) EGLN1CYP1A2CYP2A6PDPK1EGFR
SCHEMBL29746814 0.83 EGLN1 (0.54) EGLN1CYP1A2CYP2A6PDPK1EGFR
SCHEMBL29489052 0.83 EGLN1 (0.54) EGLN1CYP1A2CYP2A6PDPK1EGFR
SCHEMBL2126619 0.82 CYP1A2 (0.50) EGLN1CYP1A2CYP2A6PDPK1PLAU
SCHEMBL29745031 0.82 LCK (0.53) EGLN1CYP1A2CYP2A6PDPK1PLAU
SCHEMBL27360353 0.82 EGLN1 (0.53) EGLN1CYP1A2CYP2A6PDPK1EGFR
SCHEMBL30133777 0.82 CYP1A2 (0.50) EGLN1CYP1A2CYP2A6PDPK1PLAU
SCHEMBL678365 0.82 LCK (0.53) EGLN1CYP1A2CYP2A6PDPK1PLAU
Water SCHEMBL1201320 0.82 EGLN1 (0.53) EGLN1CYP1A2CYP2A6PDPK1EGFR
Hydrochloric Acid SCHEMBL27469719 0.82 EGLN1 (0.53) EGLN1CYP1A2CYP2A6PDPK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP 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-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 EGLN1 4799/4885CYP1A2 349/4885CYP2A6 2163/4885

“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.