SCHEMBL9922459

SCHEMBL9922459

CNc1cc2[nH]c(=O)n(C)c(=O)c2cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.46
ADORA2B P29275 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 1/20 0.45
IMPDH2 P12268 1/20 0.38
BRD4 O60885 1/20 0.36
HTR3A P46098 1/20 0.36
LMNA P02545 3/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL9919017 0.82 ADORA2B (0.45) PARGADORA2BADORA3ADORA2AADORA1
SCHEMBL9919021 0.82 CA12 (0.46) PARGADORA2BADORA3ADORA2AADORA1
SCHEMBL9923035 0.72 ADORA3 (0.56) PARGADORA2BADORA3ADORA2AADORA1
SCHEMBL5712368 0.71 ADORA3 (0.59) PARGADORA2BADORA3ADORA2AADORA1
SCHEMBL9923021 0.71 ADORA3 (0.59) PARGADORA2BADORA3ADORA2AADORA1
SCHEMBL15680590 0.70 ADORA3 (0.53) PARGADORA2BADORA3ADORA2AADORA1
SCHEMBL9922699 0.69 PARG (0.41) PARGLMNAALDH1A1MAPT
SCHEMBL8215674 0.66 ADORA3 (0.61) PARGADORA2BADORA3ADORA2AADORA1
SCHEMBL3376884 0.66 ADORA3 (0.61) ADORA2BADORA3ADORA2AADORA1HTR3A
SCHEMBL9919004 0.66 ADORA3 (0.61) ADORA2BADORA3ADORA2AADORA1HTR3A

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 PARG 2954/4885ADORA2B 50/4885ADORA3 83/4885

“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.