SCHEMBL1504513

SCHEMBL1504513

N#Cc1cn(Cc2ccccc2)c2nnnc(O)c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
P2RX7 Q99572 1/20 0.39
APP P05067 3/20 0.39
SNCA P37840 3/20 0.39
ABCC1 P33527 3/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12832990 0.85 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL9958444 0.84 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL1504348 0.78 MEN1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL1504526 0.77 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL7700385 0.71 ADORA2A (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL4481874 0.70 KDM4E (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL9894094 0.69 JAK2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL9918712 0.69 P2RX7 (0.38) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL27957392 0.65 ALDH1A1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL18779900 0.63 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1

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 MEN1 440/4885KMT2A 628/4885SMN1; SMN2 4199/4885

“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.