SCHEMBL18500484

SCHEMBL18500484

CCC(CC)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.53
MAOB P27338 16/20 0.47
MAOA P21397 14/20 0.47
NPC1 O15118 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
TBXAS1 P24557 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CRBN Q96SW2 1/20 0.42

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
SCHEMBL18500392 0.91 MAPT (0.49) CA9MAOBMAOANPC1MAPK13
SCHEMBL18500396 0.88 TBXAS1 (0.54) MAOBMAOANPC1MAPK13MAPK12
SCHEMBL29754329 0.82 CA9 (0.57) CA9MAOBMAOANPC1MAPK13
SCHEMBL2611058 0.82 CA9 (0.57) CA9MAOBMAOANPC1MAPK13
SCHEMBL20032320 0.80 KIF11 (0.58) MAOBMAOANPC1MAPK13MAPK12
SCHEMBL2218608 0.79 CA9 (0.54) CA9MAOBMAOANPC1MAPK13
SCHEMBL29337400 0.79 CA9 (0.58) CA9MAOBMAOANPC1MAPK13
SCHEMBL18500453 0.79 MAPT (0.49) TBXAS1PDE3BPDE3A
SCHEMBL4259653 0.76 CA9 (0.50) CA9MAOBMAOANPC1MAPK13
SCHEMBL1885817 0.76 CA9 (0.50) CA9MAOBMAOANPC1MAPK13

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-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 US disclosed
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-9566283-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-02-14 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-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA9 4511/4885MAOB 2579/4885MAOA 3861/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CA9 4511/4885MAOB 2579/4885MAOA 3861/4885

“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.