SCHEMBL16718841

SCHEMBL16718841

Cn1cc(-c2cc(F)c3[nH]ncc3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.47
▸ METAP2 P50579 1/20 0.44
▸ GSK3B P49841 10/20 0.42
▸ DYRK1A Q13627 10/20 0.42
▸ WNT1 P04628 3/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ BTK Q06187 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ MET P08581 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38

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
SCHEMBL19998604 0.74 ERN1 (0.56) ERN1GSK3BDYRK1AWNT1LRRK2
SCHEMBL20488997 0.74 TRPA1 (0.39) METAP2ADORA2ALRRK2
SCHEMBL12821775 0.74 DYRK1A (0.46) METAP2GSK3BDYRK1AWNT1LRRK2
SCHEMBL16014174 0.73 GSK3B (0.57) METAP2GSK3BDYRK1ALRRK2LOXL2
SCHEMBL17809710 0.70 ERN1 (0.52) ERN1GSK3BDYRK1AWNT1CHRM1
SCHEMBL18259536 0.70 ERN1 (0.51) ERN1METAP2DYRK1ALOXL2CHRM1
SCHEMBL31291085 0.70 FGFR1 (0.57) METAP2GSK3BDYRK1ALOXL2AURKB
SCHEMBL17559207 0.70 FGFR1 (0.57) METAP2GSK3BDYRK1ALOXL2AURKB
SCHEMBL25176822 0.70 METAP2 (0.41) ERN1METAP2GSK3BDYRK1A
SCHEMBL11577937 0.69 METAP2 (0.39) METAP2ADORA2ALRRK2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068389-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2019-10-02 — — EP disclosed
EP-3068389-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2019-10-02 — — EP disclosed
US-9809568-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-9809568-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-20160289207-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-10-06 — — US disclosed
US-20160289207-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-10-06 — — US disclosed
EP-3068389-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY Merck Sharp & Dohme Corp. (US) 2016-09-21 — — EP disclosed
WO-2015073344-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2015-05-21 — — WO disclosed
WO-2015073344-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2015-05-21 — — 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-20160289207-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 ERN1 492/4885METAP2 1312/4885GSK3B 106/4885

“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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