SCHEMBL16218259

SCHEMBL16218259

CC(=O)C(C(C)=O)c1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
RAB9A P51151 2/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ADORA1 P30542 1/20 0.54
DYRK1A Q13627 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
GAA P10253 2/20 0.51
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.50
APEX1 P27695 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL8936682 0.82 ALOX5 (0.55) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL11697365 0.79 HPGD (0.60) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL3963337 0.79 HPGD (0.60) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL10653229 0.79 RAB9A (0.58) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL11587666 0.78 ALOX5 (0.65) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL3060259 0.78 ALOX5 (0.57) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL9306298 0.78 HPGD (0.58) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL9306307 0.78 HPGD (0.58) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL17947424 0.78 HPGD (0.64) ALOX5RAB9AHPGDCYP1A2CYP2C19
SCHEMBL12085830 0.78 HPGD (0.64) ALOX5RAB9AHPGDCYP1A2CYP2C19

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-9221809-B2 Aminopyrimidinones as interleukin receptor-associated kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-11-06 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-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS IRAK4, IRAK1, IRAK2 ALOX5 2789/4885RAB9A 1966/4885HPGD 3305/4885

“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.