SCHEMBL4496552

SCHEMBL4496552

NC(=O)c1cnn(C2CN(C(c3ccccc3)c3ccccc3)C2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.47
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CCR5 P51681 1/20 0.36
SLC6A9 P48067 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
MAOB P27338 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
SCHEMBL17604090 0.75 RIPK2 (0.46) RIPK2RAB9ALMNASMN1; SMN2NPC1
SCHEMBL21641087 0.73 OPRD1 (0.46) OPRD1ALDH1A1MAPTL3MBTL1CNR1
SCHEMBL1164192 0.72 RIPK2 (0.44) RIPK2RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL1717428 0.72 RIPK2 (0.44) RIPK2ALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL1717322 0.72 JAK1 (0.41) RIPK2TSHR
SCHEMBL6343326 0.71 RIPK2 (0.48) RIPK2RAB9ALMNASMN1; SMN2NPC1
SCHEMBL7883835 0.69 TYK2 (0.41) RIPK2TSHR
SCHEMBL1717672 0.69 RIPK2 (0.41) RIPK2RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL6346129 0.69 RIPK2 (0.41) RIPK2RAB9ALMNASMN1; SMN2TSHR
SCHEMBL12499368 0.69 ALDH1A1 (0.51) OPRD1ALDH1A1MAPTCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B RIPK2 1101/4885OPRD1 3128/4885ALDH1A1 240/4885

“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.