SCHEMBL16025545

SCHEMBL16025545

Fc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3cc(F)c(Br)cc23)ccn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
ADORA2B P29275 2/20 0.33
ADORA2A P29274 1/20 0.33
MAPK14 Q16539 3/20 0.32
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
S1PR1 P21453 1/20 0.31
MAPK1 P28482 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
SCHEMBL16025844 0.90 ADORA2A (0.35) IDO1ADORA2BADORA2AMAPK14S1PR1
SCHEMBL16025540 0.85 LRRK2 (0.39)
SCHEMBL2856284 0.84 SRC (0.35) ADORA2A
SCHEMBL16025577 0.83 LRRK2 (0.46)
SCHEMBL16525154 0.80 ADORA2A (0.33) IDO1ADORA2BADORA2AMAPK14MAPK1
SCHEMBL12406652 0.79 MAPK1 (0.32) MAPK14MAPK1
SCHEMBL31021994 0.77 TDO2 (0.34) IDO1ADORA2AMAPK1
SCHEMBL4145572 0.77 MAPK1 (0.30) MAPK1
SCHEMBL17430364 0.77 RPS6KA3 (0.38) MAPK1
SCHEMBL2277656 0.76 L3MBTL1 (0.50) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
WO-2014137728-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 IDO1 1274/4885ADORA2B 4129/4885ADORA2A 3479/4885

“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.