SCHEMBL3219793

SCHEMBL3219793

CC(Cl)Nc1cc[nH]c(=O)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ELANE P08246 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
JAK2 O60674 1/20 0.31

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
SCHEMBL7047603 0.85 ELANE (0.40) ADORA2AADORA1ELANEALDH1A1KDM4E
SCHEMBL9151029 0.81 ADORA2A (0.33) ADORA2AADORA1ELANEJAK2
SCHEMBL5839615 0.75 MAPT (0.40) ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4726446 0.74
SCHEMBL27952254 0.74 NCF1 (0.39) ADORA2AADORA1ELANEALDH1A1SMN1; SMN2
SCHEMBL30688742 0.73 ESR1 (0.46)
SCHEMBL30917959 0.72 NCF1 (0.38) ADORA2AADORA1ELANEALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6853662 0.72 NCF1 (0.38) ADORA2AADORA1ELANEALDH1A1SMN1; SMN2
SCHEMBL1965199 0.71 ADORA3 (0.43) ADORA2AADORA1ALDH1A1GAASMN1; SMN2
SCHEMBL8080125 0.71 ADORA2A (0.35) ADORA2AADORA1ELANEKDM4E

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
WO-2010021897-A1 NUCLEOSIDIC PHOSPHORAMIDITE CRYSTALLINE MATERIAL AND A PROCESS FOR PURIFYING THE SAME MERCK SHARP & DOHME CORP. (US) 2010-02-25 WO disclosed
US-7057062-B2 Process for manufacturing purified phosphorodiamidite ISIS PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20030225284-A1 Process for manufacturing purified phosphorodiamidite IONIS PHARMACEUTICALS, INC. 2003-12-04 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-20030225284-A1 Process for manufacturing purified phosphorodiamidite PHOSPHO1, PNP, OSGEP ADORA2A 2875/4885ADORA1 2911/4885ELANE 4833/4885

“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.