SCHEMBL9920173

SCHEMBL9920173

CC(C)c1ccc(OCCC(=O)N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
PDK2 Q15119 1/20 0.44
ACACB O00763 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL25017266 0.83 SMN1; SMN2 (0.61) RAB9ANPC1RXRARXRBKMT2A
SCHEMBL9923069 0.81 L3MBTL1 (0.66) RAB9ANPC1MEN1KMT2ACCNC
SCHEMBL22434609 0.81 LTA4H (0.49) CCNCCDK8PDK2L3MBTL1
SCHEMBL9918368 0.81 KMT2A (0.44) RAB9ANPC1RXRARXRBMEN1
SCHEMBL13531974 0.80 GAA (0.51) RAB9ANPC1RXRARXRBMEN1
SCHEMBL20795615 0.77 GAA (0.51) RAB9ANPC1RXRARXRBMEN1
SCHEMBL15942954 0.77 MEN1 (0.55) RAB9ANPC1RXRARXRBMEN1
SCHEMBL3127329 0.77 CCNC (0.43) CCNCCDK8PDK2L3MBTL1
SCHEMBL10824702 0.76 KMT2A (0.59) RAB9ANPC1RXRARXRBMEN1
SCHEMBL25063848 0.75 MEN1 (0.50) RAB9ANPC1RXRARXRBMEN1

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 RAB9A 3327/4885NPC1 3905/4885RXRA 4319/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 RAB9A 1684/4885NPC1 2752/4885RXRA 4469/4885

“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.