SCHEMBL10225762

SCHEMBL10225762

COC(=O)/C=C/c1nn(Cc2ccc(OC)cc2)c2ccnc(NC3CCOCC3)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
LRRK2 Q5S007 5/20 0.41
PDE1B Q01064 4/20 0.39
PDE1A P54750 3/20 0.39
PDE1C Q14123 3/20 0.39
MAPK1 P28482 1/20 0.38
AOC3 Q16853 2/20 0.37
NR1H4 Q96RI1 2/20 0.36
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR4 P51679 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13834302 0.93 JAK2 (0.47) JAK2LRRK2PDE1BPDE1APDE1C
SCHEMBL13834301 0.93 JAK2 (0.47) JAK2LRRK2PDE1BPDE1APDE1C
SCHEMBL416412 0.92 JAK2 (0.48) JAK2AOC3NR1H4ALDH1A1L3MBTL1
SCHEMBL416411 0.92 JAK2 (0.48) JAK2AOC3NR1H4ALDH1A1L3MBTL1
SCHEMBL19730493 0.86 JAK2 (0.47) JAK2LRRK2PDE1BPDE1APDE1C
SCHEMBL19730136 0.84 JAK2 (0.39) JAK2ALDH1A1L3MBTL1CCR4POLB
SCHEMBL31500887 0.84 JAK2 (0.39) JAK2ALDH1A1L3MBTL1CCR4POLB
SCHEMBL3770096 0.83 JAK2 (0.47) JAK2AOC3ALDH1A1POLB
SCHEMBL3770100 0.83 JAK2 (0.47) JAK2AOC3ALDH1A1POLB
SCHEMBL883468 0.82 JAK2 (0.48) JAK2LRRK2PDE1BPDE1APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 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-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC JAK2 2080/4885LRRK2 1512/4885PDE1B 2865/4885

“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.