SCHEMBL3770096

SCHEMBL3770096

COc1ccc(Cn2nc(/C=C/C(=O)N(C)C)c3c(NC4CCCCC4)nccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
PDE5A O76074 2/20 0.41
POLB P06746 2/20 0.39
EPHX2 P34913 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
AOC3 Q16853 2/20 0.36
MAPT P10636 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 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
SCHEMBL3770100 1.00 JAK2 (0.47) JAK2PDE5APOLBEPHX2CTSL
SCHEMBL416411 0.91 JAK2 (0.48) JAK2PDE5APOLBEPHX2CTSL
SCHEMBL416412 0.91 JAK2 (0.48) JAK2PDE5APOLBEPHX2CTSL
SCHEMBL3772609 0.84 JAK2 (0.49) JAK2PDE5APOLBEPHX2CTSL
SCHEMBL3772605 0.84 JAK2 (0.49) JAK2PDE5APOLBEPHX2CTSL
SCHEMBL3768714 0.83 JAK2 (0.44) JAK2PDE5APOLBLMNAALDH1A1
SCHEMBL3769148 0.83 JAK2 (0.44) JAK2PDE5APOLBLMNAAOC3
SCHEMBL3768711 0.83 JAK2 (0.44) JAK2PDE5APOLBLMNAALDH1A1
SCHEMBL3769153 0.83 JAK2 (0.44) JAK2PDE5APOLBLMNAAOC3
SCHEMBL13834302 0.83 JAK2 (0.47) JAK2ALDH1A1AOC3

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 7 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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
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
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 1557/4885PDE5A 3820/4885POLB 4474/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1492/4885PDE5A 3832/4885POLB 4468/4885

“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.