SCHEMBL9918481

SCHEMBL9918481

CC(C)C(C)Nc1c(C(N)=O)nnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.42
CSF1R P07333 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL12832928 0.81 LRRK2 (0.45) LRRK2
SCHEMBL3430719 0.77 JAK2 (0.55)
SCHEMBL2104906 0.77 JAK2 (0.55)
SCHEMBL2106504 0.77 JAK2 (0.55)
SCHEMBL9918518 0.75 LRRK2 (0.37) LRRK2
SCHEMBL12832698 0.75 IKBKB (0.39) LRRK2CSF1RPDGFRA
SCHEMBL9918651 0.72 PRKCI (0.40)
SCHEMBL9918524 0.70 TTBK1 (0.41) LRRK2CSF1R
SCHEMBL9921988 0.70 JAK3 (0.67) LRRK2PDGFRA
SCHEMBL9918475 0.70 JAK3 (0.67) LRRK2PDGFRA

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 3 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
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 LRRK2 1567/4885CSF1R 410/4885PDGFRA 805/4885

“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.