SCHEMBL9918543

SCHEMBL9918543

NC(=O)c1nnc2[nH]ccc2c1Nc1cccc2c1OC2c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
ROCK2 O75116 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
NUDT1 P36639 1/20 0.32
PRKCI P41743 1/20 0.31
TTBK1 Q5TCY1 1/20 0.31
TTBK2 Q6IQ55 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
BTK Q06187 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL9918546 0.80 SYK (0.33) SYKKCNH2JAK2
SCHEMBL9920236 0.71 JAK2 (0.48) JAK2JAK1TYK2
SCHEMBL9918530 0.67 LRRK2 (0.38) SYKKCNH2NUDT1JAK2JAK1
SCHEMBL9918544 0.67 SMN1; SMN2 (0.44) SYKNUDT1TTBK1TTBK2LRRK2
SCHEMBL9918526 0.65 LRRK2 (0.43) SYKKCNH2LRRK2
SCHEMBL9918521 0.65 IGF1R (0.34) JAK2JAK1LRRK2
SCHEMBL12832928 0.64 LRRK2 (0.45) NUDT1PRKCIJAK2JAK1TYK2
SCHEMBL12832699 0.64 JAK2 (0.34) SYKKCNH2JAK2JAK1TYK2
SCHEMBL9918528 0.64 SYK (0.32) SYKKCNH2JAK2JAK1BTK
SCHEMBL9918519 0.64 IGF1R (0.33) SYKKCNH2JAK2JAK1LRRK2

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 BRD4 402/4885ROCK2 483/4885SYK 87/4885

“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.