SCHEMBL13865734

SCHEMBL13865734

Cc1nc(-c2ccccc2)c(CN2CCOCC2)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
RAB9A P51151 1/20 0.51
SSTR5 P35346 1/20 0.51
SLC2A1 P11166 3/20 0.49
ROCK2 O75116 2/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
CYP2A13 Q16696 1/20 0.46

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
SCHEMBL19296064 0.76 CXCR4 (0.42) SMN1; SMN2ALDH1A1KDM4ERAB9ACYP2A13
SCHEMBL14963331 0.74 SSTR5 (0.85) SSTR5
SCHEMBL13002963 0.73 ALDH1A1 (0.67) ARALDH1A1
SCHEMBL2089659 0.71 PTGDR2 (0.48) ARALDH1A1KDM4E
SCHEMBL23315810 0.70 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4ERAB9ASLC2A1
SCHEMBL17014756 0.70 AR (1.00) ARSMN1; SMN2ALDH1A1RAB9A
SCHEMBL20462664 0.70 PTGDR2 (0.48) ALDH1A1KDM4E
SCHEMBL12030408 0.70 CNR1 (0.49) ARSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL11714345 0.69 NR4A2 (0.51) SMN1; SMN2ALDH1A1KDM4ERAB9ASLC2A1
Hydrochloric Acid SCHEMBL2484635 0.69 CNR1 (0.48) ARALDH1A1KDM4ERAB9ASSTR5

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
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 AR 3534/4885SMN1; SMN2 3300/4885ALDH1A1 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.