SCHEMBL9918528

SCHEMBL9918528

Cc1cccc(Nc2c(C(N)=O)nnc3[nH]ccc23)c1CCC#N

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.32
KCNH2 Q12809 2/20 0.32
PTGS2 P35354 2/20 0.32
JAK1 P23458 5/20 0.32
JAK3 P52333 4/20 0.32
JAK2 O60674 2/20 0.32
BTK Q06187 3/20 0.31
IGF1R P08069 2/20 0.31
MAPK8 P45983 2/20 0.31
CYP3A4 P08684 2/20 0.31
CD38 P28907 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9918519 0.89 IGF1R (0.33) SYKKCNH2JAK1JAK3JAK2
SCHEMBL9918530 0.75 LRRK2 (0.38) SYKKCNH2JAK1JAK3JAK2
SCHEMBL9918521 0.74 IGF1R (0.34) JAK1JAK3JAK2IGF1RMAPK8
SCHEMBL9918526 0.73 LRRK2 (0.43) SYKKCNH2IGF1R
SCHEMBL9918529 0.72 JAK1 (0.34) SYKJAK1JAK3JAK2
SCHEMBL9920226 0.69 JAK1 (0.48) JAK1JAK3JAK2
SCHEMBL12832928 0.69 LRRK2 (0.45) JAK1JAK3JAK2BTK
SCHEMBL9918546 0.66 SYK (0.33) SYKKCNH2JAK2
SCHEMBL12832698 0.66 IKBKB (0.39) JAK1JAK3JAK2BTK
SCHEMBL12832699 0.66 JAK2 (0.34) SYKKCNH2JAK1JAK3JAK2

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 2 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

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 SYK 87/4885KCNH2 1267/4885PTGS2 555/4885

“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.