SCHEMBL9921780

SCHEMBL9921780

O=C1COc2ccc(-n3c(=O)[nH]c4nnc5[nH]ccc5c43)cc2N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 2/20 0.44
MMP12 P39900 1/20 0.41
NR3C2 P08235 11/20 0.40
NR3C1 P04150 1/20 0.40
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
PARP1 P09874 1/20 0.39
JAK3 P52333 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9918548 0.90 JAK2 (0.36) ALDH1A1KMT2ASMN1; SMN2NPSR1JAK2
SCHEMBL9921771 0.80 KDM4E (0.39) ALDH1A1SMN1; SMN2JAK1JAK3HPGD
SCHEMBL9918554 0.80 PDE3B (0.40) JAK2JAK1HTR1ASLC6A4JAK3
SCHEMBL9918552 0.79 HTT (0.39) ALDH1A1KMT2AJAK2JAK1JAK3
SCHEMBL9918550 0.79 PRKCA (0.30)
SCHEMBL9918551 0.72 MAP3K11 (0.35) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL9921664 0.70 MAP3K11 (0.41) ALDH1A1KMT2AJAK2JAK1TYK2
SCHEMBL9918533 0.69 MAP3K11 (0.41) ALDH1A1SMN1; SMN2JAK2JAK1TYK2
SCHEMBL9921770 0.68 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL9918547 0.67 JAK2 (0.32) ALDH1A1KMT2ASMN1; SMN2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1507/4885KMT2A 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.