SCHEMBL19522210

SCHEMBL19522210

CCCOCCOCCOCCn1cc(-c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.40
▸ SNCA P37840 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RXFP1 Q9HBX9 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ FABP7 O15540 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL19522212 1.00 NAMPT (0.40) NAMPTSNCAALDH1A1L3MBTL1RXFP1
SCHEMBL19522206 0.99 NAMPT (0.41) NAMPTSNCAALDH1A1L3MBTL1RXFP1
SCHEMBL18357075 0.93 FOLH1 (0.41) NAMPTSNCARXFP1FABP7GBA1
SCHEMBL18357063 0.93 FOLH1 (0.41) NAMPTSNCARXFP1FABP7GBA1
SCHEMBL18356631 0.92 NAMPT (0.40) NAMPTSNCAALDH1A1RXFP1PIK3CD
SCHEMBL19523553 0.89 NAMPT (0.37) NAMPTSNCAGBA1HDAC3HDAC4
SCHEMBL19522205 0.89 NAMPT (0.43) NAMPTSNCAGBA1HDAC3HDAC4
SCHEMBL19851530 0.87 HDAC1 (0.40) NAMPTSNCAALDH1A1POLBHDAC3
SCHEMBL18356613 0.86 NAMPT (0.37) NAMPTSNCARXFP1PIK3CDPIK3CA
SCHEMBL18373111 0.86 PTPN22 (0.37) NAMPTSNCAALDH1A1RXFP1POLB

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 85/4885ALDH1A1 2316/4885
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 85/4885ALDH1A1 2316/4885

“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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