SCHEMBL16829641

SCHEMBL16829641

Cc1nc(N2CCC(CN)C2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
PRKCQ Q04759 1/20 0.42
BPTF Q12830 1/20 0.41
PTPN11 Q06124 1/20 0.41
MAP4K4 O95819 6/20 0.39
HRH4 Q9H3N8 1/20 0.37
RET P07949 4/20 0.37
PIM1 P11309 2/20 0.36
PTGER4 P35408 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL30066438 0.80 PDE10A (0.43) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL24669937 0.80 PDE10A (0.43) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL18940311 0.80 PTGER4 (0.43) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL18940291 0.79 SMO (0.42) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL15509072 0.78 METAP2 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL15509173 0.78 METAP2 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL15515890 0.78 METAP2 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL15616205 0.78 GRIN1 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL23603068 0.77 JAK2 (0.37) JAK2JAK1TYK2JAK3MAP4K4
SCHEMBL10324203 0.76 HSD11B1 (0.46) JAK2JAK1TYK2JAK3MAP4K4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
EP-3082786-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
WO-2015089809-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095256-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 JAK2 1771/4885JAK1 3516/4885TYK2 2906/4885

“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.