SCHEMBL9918557

SCHEMBL9918557

C=C1Nc2cc(Nc3c(C(N)=O)nnc4[nH]ccc34)ccc2OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
SYK P43405 3/20 0.31
TTBK1 Q5TCY1 1/20 0.31
TTBK2 Q6IQ55 1/20 0.31
NPC1 O15118 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
SCHEMBL9921982 0.90 KDM4E (0.44) LRRK2KDM4EALDH1A1SMN1; SMN2JAK1
SCHEMBL9918555 0.82 SYK (0.36) LRRK2ALDH1A1JAK1JAK3SYK
SCHEMBL9921974 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2JAK1SYK
SCHEMBL9918558 0.71 HTT (0.41) LRRK2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL9918562 0.71 SYK (0.47) LRRK2SYK
SCHEMBL12833307 0.71 LRRK2 (0.43) LRRK2SYKTTBK1TTBK2
SCHEMBL9918560 0.70 JAK2 (0.34) LRRK2JAK1JAK3SYK
SCHEMBL9918545 0.70 CSF1R (0.46) LRRK2ALDH1A1SMN1; SMN2NPC1
SCHEMBL9918556 0.69 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2JAK1JAK3NPC1
SCHEMBL12832928 0.68 LRRK2 (0.45) LRRK2JAK1JAK3

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 LRRK2 1567/4885KDM4E 477/4885ALDH1A1 1507/4885

“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.