SCHEMBL9921982

SCHEMBL9921982

CC1(C)Oc2ccc(Nc3c(C(N)=O)nnc4[nH]ccc34)cc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.40
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
SYK P43405 5/20 0.38
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 7/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LRRK2 Q5S007 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL9918557 0.90 LRRK2 (0.33) KDM4EALDH1A1SMN1; SMN2NPC1JAK1
SCHEMBL9921974 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2JAK1SYKPOLB
SCHEMBL9918555 0.79 SYK (0.36) ALDH1A1JAK1JAK3SYKPOLB
SCHEMBL9918558 0.74 HTT (0.41) KDM4EALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL9918562 0.74 SYK (0.47) SYKPOLBPDE3BPDE3ALRRK2
SCHEMBL13386794 0.73 SYK (0.53) KDM4EALDH1A1SMN1; SMN2JAK1JAK3
SCHEMBL3280818 0.72 SYK (0.45) KDM4EALDH1A1SMN1; SMN2NPC1JAK1
SCHEMBL12833307 0.72 LRRK2 (0.43) SYKLRRK2
SCHEMBL9918560 0.71 JAK2 (0.34) JAK1JAK3SYKLRRK2
SCHEMBL9918545 0.71 CSF1R (0.46) ALDH1A1SMN1; SMN2NPC1POLBHPGD

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 KDM4E 477/4885ALDH1A1 1507/4885SMN1; 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.