SCHEMBL17664675

SCHEMBL17664675

Cc1ccc(-n2ccn(C)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RGS4 P49798 2/20 0.47
▸ RGS8 P57771 2/20 0.47
▸ ELANE P08246 2/20 0.45
▸ F2 P00734 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ CTRC Q99895 1/20 0.45
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL12362740 0.82 TDP1 (0.41) MGLLLMNAALDH1A1KDM4EPKM
SCHEMBL22349820 0.82 GSK3A (0.44) GSK3AGSK3BMGLLKDM4EHPGD
SCHEMBL7133435 0.81 GSK3A (0.48) GSK3AGSK3BMGLLLMNAALDH1A1
SCHEMBL14280098 0.79 ALDH1A1 (0.47) ELANEGSK3AGSK3BMGLLLMNA
SCHEMBL25160404 0.76 ALDH1A1 (0.43) RGS4RGS8ELANEF2CTSG
SCHEMBL25685423 0.75 MAPT (0.43) RGS4RGS8ELANEF2CTSG
SCHEMBL17660251 0.75 ELANE (0.41) RGS4RGS8ELANEF2CTSG
SCHEMBL11388402 0.74 MGLL (0.49) MGLLLMNAMEN1KMT2A
SCHEMBL11399693 0.74 HCAR1 (0.43) MGLLLMNAHCAR1ALDH1A1KDM4E
SCHEMBL11394965 0.74 ALDH1A1 (0.44) GSK3AGSK3BMGLLLMNAHCAR1

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
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN RGS4 1470/4885RGS8 1786/4885ELANE 3161/4885

“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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