SCHEMBL19522211

SCHEMBL19522211

C=C1CCC(=O)N1OC(=O)CCOCCOCCn1cc(-c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)nn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.35
▸ SNCA P37840 1/20 0.33
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ EP300 Q09472 2/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ FOLH1 Q04609 1/20 0.30
▸ GBA1 P04062 2/20 0.30
▸ GLA P06280 1/20 0.30

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
SCHEMBL18356613 0.95 NAMPT (0.37) NAMPTSNCAPIK3CDPIK3CAEP300
SCHEMBL19522203 0.91 NAMPT (0.39) NAMPTEP300
SCHEMBL19522209 0.91 EP300 (0.39) NAMPTEP300
SCHEMBL19522204 0.91 EP300 (0.39) NAMPTEP300
SCHEMBL18357099 0.86 NAMPT (0.41) NAMPTEP300
SCHEMBL18357100 0.86 EP300 (0.41) NAMPTEP300
SCHEMBL18356839 0.86 EP300 (0.41) NAMPTEP300
SCHEMBL21013143 0.85 NAMPT (0.36) NAMPTSNCAPIK3CDPIK3CAEP300
SCHEMBL19522210 0.83 NAMPT (0.40) NAMPTSNCAPIK3CDPIK3CARXFP1
SCHEMBL19522212 0.83 NAMPT (0.40) NAMPTSNCAPIK3CDPIK3CARXFP1

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-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2018-08-07 — — US disclosed
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2018-02-08 — — US disclosed
US-9802942-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2017-10-31 — — 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-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 NAMPT 519/4885SNCA 85/4885PIK3CD 767/4885
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 NAMPT 519/4885SNCA 85/4885PIK3CD 767/4885

“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.

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