SCHEMBL1504407

SCHEMBL1504407

CC(C)(C)C(=O)OCn1ccc2c(Cl)cnnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1504461 0.85 NPC1 (0.35) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL9918810 0.79 NPC1 (0.32) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL1504486 0.78 CHUK (0.34) NPC1
SCHEMBL1897615 0.77 SLC22A12 (0.41) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL31720885 0.77 SLC22A12 (0.41) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL16698581 0.76 HDAC1 (0.43) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL30221318 0.76 HDAC1 (0.43) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL1504403 0.72 CD274 (0.36)
SCHEMBL23871184 0.72 GAA (0.36) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL1504457 0.72 DGAT1 (0.34) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 NPC1 2953/4885KMT2A 628/4885CYP2C19 716/4885

“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.