SCHEMBL3773019

SCHEMBL3773019

COc1ccc(Cn2nc(/C=C/c3ccc([N+](=O)[O-])cc3)c3c(NC4CCCCC4)nccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
MAPT P10636 7/20 0.41
APP P05067 2/20 0.41
SNCA P37840 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
PDE5A O76074 2/20 0.38
PTGS2 P35354 3/20 0.36
CNR2 P34972 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC29A1 Q99808 1/20 0.36
PTGS1 P23219 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL3773025 1.00 JAK2 (0.42) JAK2MAPTAPPSNCASMN1; SMN2
SCHEMBL3771436 0.91 NFE2L2 (0.44) JAK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3771439 0.91 NFE2L2 (0.44) JAK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3769153 0.88 JAK2 (0.44) JAK2MAPTSMN1; SMN2PDE5APOLB
SCHEMBL3768714 0.88 JAK2 (0.44) JAK2MAPTSMN1; SMN2PDE5ACNR2
SCHEMBL3768711 0.88 JAK2 (0.44) JAK2MAPTSMN1; SMN2PDE5ACNR2
SCHEMBL3769148 0.88 JAK2 (0.44) JAK2MAPTSMN1; SMN2PDE5APOLB
SCHEMBL3772605 0.87 JAK2 (0.49) JAK2MAPTPDE5APOLB
SCHEMBL3772609 0.87 JAK2 (0.49) JAK2MAPTPDE5APOLB
SCHEMBL416412 0.82 JAK2 (0.48) JAK2MAPTSMN1; SMN2PDE5APOLB

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 4 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-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1557/4885MAPT 4568/4885APP 3905/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1492/4885MAPT 4576/4885APP 3984/4885

“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.