SCHEMBL1504526

SCHEMBL1504526

CCCCOc1nnnc2c1c(C#N)cn2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
ABCC1 P33527 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
P2RX7 Q99572 1/20 0.36
TLR7 Q9NYK1 3/20 0.36
CYP19A1 P11511 1/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL12832719 0.83 TLR7 (0.42) TLR7
SCHEMBL12832990 0.78 ALDH1A1 (0.49) SMN1; SMN2TDP1MEN1ALDH1A1KMT2A
SCHEMBL1504513 0.77 MEN1 (0.48) SMN1; SMN2TDP1MEN1ALDH1A1KMT2A
SCHEMBL9958444 0.77 ALDH1A1 (0.48) SMN1; SMN2TDP1MEN1ALDH1A1KMT2A
SCHEMBL1504348 0.71 MEN1 (0.42) SMN1; SMN2TDP1MEN1ALDH1A1KMT2A
SCHEMBL9894094 0.69 JAK2 (0.39) SMN1; SMN2TDP1MEN1ALDH1A1KMT2A
SCHEMBL7700385 0.67 ADORA2A (0.52) SMN1; SMN2TDP1MEN1ALDH1A1KMT2A
SCHEMBL4481874 0.66 KDM4E (0.48) SMN1; SMN2TDP1MEN1ALDH1A1KMT2A
SCHEMBL9918712 0.63 P2RX7 (0.38) MEN1ALDH1A1KMT2ATSHRP2RX7
SCHEMBL3082319 0.62 ALDH1A1 (0.48) SMN1; SMN2TDP1MEN1ALDH1A1KMT2A

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 5 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

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 SMN1; SMN2 4199/4885TDP1 2833/4885MEN1 440/4885

“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.