SCHEMBL3772609

SCHEMBL3772609

COC(=O)c1ccc(C=Cc2nn(Cc3ccc(OC)cc3)c3ccnc(NC4CCCCC4)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
POLB P06746 4/20 0.39
MAPT P10636 2/20 0.39
GPR183 P32249 1/20 0.38
PDE5A O76074 2/20 0.38
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AOC3 Q16853 2/20 0.37
NPC1 O15118 1/20 0.37
EPHX2 P34913 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL3772605 1.00 JAK2 (0.49) JAK2POLBMAPTGPR183PDE5A
SCHEMBL3769153 0.89 JAK2 (0.44) JAK2POLBMAPTPDE5ALMNA
SCHEMBL3768714 0.89 JAK2 (0.44) JAK2POLBMAPTPDE5ALMNA
SCHEMBL3769148 0.89 JAK2 (0.44) JAK2POLBMAPTPDE5ALMNA
SCHEMBL3768711 0.89 JAK2 (0.44) JAK2POLBMAPTPDE5ALMNA
SCHEMBL3773019 0.87 JAK2 (0.42) JAK2POLBMAPTPDE5A
SCHEMBL3773025 0.87 JAK2 (0.42) JAK2POLBMAPTPDE5A
SCHEMBL416411 0.86 JAK2 (0.48) JAK2POLBMAPTPDE5ALMNA
SCHEMBL416412 0.86 JAK2 (0.48) JAK2POLBMAPTPDE5ALMNA
SCHEMBL3711065 0.85 JAK2 (0.51) JAK2POLBPDE5ALMNARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US 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 (3 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 2080/4885POLB 3401/4885MAPT 40/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1557/4885POLB 4474/4885MAPT 4568/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1492/4885POLB 4468/4885MAPT 4576/4885

“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.