SCHEMBL9918544

SCHEMBL9918544

NC(=O)c1nnc2[nH]ccc2c1Nc1ccccc1Oc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.43
SIRT2 Q8IXJ6 3/20 0.40
SIRT1 Q96EB6 3/20 0.40
SIRT3 Q9NTG7 3/20 0.40
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
MAP2K1 Q02750 1/20 0.38
TSHR P16473 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PLK1 P53350 1/20 0.37
CCNA1 P78396 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 1/20 0.37
LRRK2 Q5S007 3/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL9918530 0.77 LRRK2 (0.38) SYKLRRK2ALDH1A1NUDT1
SCHEMBL9918526 0.76 LRRK2 (0.43) SYKLRRK2
SCHEMBL9920232 0.69 JAK2 (0.47) ALDH1A1HSD17B10
SCHEMBL30060692 0.68 CTNNB1 (0.68) SMN1; SMN2SIRT2SIRT1SIRT3ALDH1A1
SCHEMBL12832928 0.68 LRRK2 (0.45) LRRK2NUDT1
SCHEMBL1702138 0.68 CTNNB1 (0.68) SMN1; SMN2SIRT2SIRT1SIRT3ALDH1A1
SCHEMBL12832699 0.67 JAK2 (0.34) SYK
SCHEMBL9918543 0.67 BRD4 (0.34) SYKTTBK1TTBK2LRRK2NUDT1
SCHEMBL9918532 0.65 GRM5 (0.40) SMN1; SMN2TTBK1TTBK2ALDH1A1MAPK1
SCHEMBL9918528 0.65 SYK (0.32) SYK

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 SMN1; SMN2 4199/4885SYK 87/4885SIRT2 1439/4885

“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.