SCHEMBL9918547

SCHEMBL9918547

C=C1CSc2ccc(-n3c(=O)[nH]c4nnc5[nH]ccc5c43)cc2N1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.32
JAK1 P23458 10/20 0.32
JAK3 P52333 10/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
MAP3K11 Q16584 2/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9921770 0.90 SMN1; SMN2 (0.42) POLBSMN1; SMN2LMNAMEN1MAPK1
SCHEMBL9918549 0.84 JAK1 (0.32) JAK2JAK1JAK3
SCHEMBL9918552 0.79 HTT (0.39) JAK2JAK1JAK3POLBLMNA
SCHEMBL9921777 0.78 JAK1 (0.33) JAK2JAK1JAK3ALDH1A1
SCHEMBL9918554 0.75 PDE3B (0.40) JAK2JAK1JAK3MAP3K11
SCHEMBL9921664 0.70 MAP3K11 (0.41) JAK2JAK1JAK3LMNAMAP3K11
SCHEMBL9918548 0.69 JAK2 (0.36) JAK2JAK1JAK3SMN1; SMN2MAP3K11
SCHEMBL9918533 0.69 MAP3K11 (0.41) JAK2JAK1JAK3POLBSMN1; SMN2
SCHEMBL9918550 0.69 PRKCA (0.30) MAP3K11
SCHEMBL9921780 0.67 ALDH1A1 (0.47) JAK2JAK1JAK3SMN1; SMN2KMT2A

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 1 patent. 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

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 JAK2 1/4885JAK1 2/4885JAK3 3/4885

“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.