SCHEMBL9921975

SCHEMBL9921975

N#CCN1C(=O)CSc2ccc(Nc3c(C(N)=O)nnc4[nH]ccc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
JAK1 P23458 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9918561 0.91 JAK2 (0.32) JAK2JAK3JAK1
SCHEMBL9921977 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9918556 0.79 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9918558 0.77 HTT (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9921777 0.73 JAK1 (0.33) ALDH1A1L3MBTL1JAK2JAK3JAK1
SCHEMBL9918562 0.71 SYK (0.47) L3MBTL1POLB
SCHEMBL10185318 0.68 NPC1 (0.42) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9918529 0.68 JAK1 (0.34) JAK2JAK3JAK1
SCHEMBL15651575 0.67 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9918517 0.67 RET (0.35) JAK2JAK1

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 ALDH1A1 1507/4885L3MBTL1 4676/4885CTDSP1 2806/4885

“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.