SCHEMBL452867

SCHEMBL452867

CCOC(=O)c1ccc2nn[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.53
PKN2 Q16513 1/20 0.53
SIRT2 Q8IXJ6 5/20 0.52
SIRT1 Q96EB6 4/20 0.52
SIRT3 Q9NTG7 2/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
HCRTR1 O43613 2/20 0.49
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
IMPDH2 P12268 1/20 0.47

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
SCHEMBL20306812 0.89 ALDH1A1 (0.49) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL1370518 0.88 HCRTR1 (0.52) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL20306811 0.85 PKN1 (0.39) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL18671246 0.84 SIRT2 (0.41) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL18671256 0.84 PKN1 (0.40) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL17106463 0.83 ALDH1A1 (0.44) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL9871375 0.83 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL20306813 0.83 LMNA (0.41) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL18671245 0.83 PKN1 (0.39) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL17548962 0.81 PKN1 (0.38) PKN1PKN2SIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed
US-9929348-B2 Organic semiconductor composition comprising organic semiconductor material and polymer compound FUJIFILM CORPORATION (JP) 2018-03-27 US disclosed
US-20160064674-A1 ORGANIC SEMICONDUCTOR COMOSITION, ORGANIC THIN-FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-03-03 US disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 PKN1 2814/4885PKN2 3628/4885SIRT2 4562/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 PKN1 1177/4885PKN2 485/4885SIRT2 498/4885

“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.