SCHEMBL2799990

SCHEMBL2799990

NC(=O)C1OC(NC2CCCCCC2)=Nc2cc[c]cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1A P35348 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
SCHEMBL3356170 1.00 JAK2 (0.31) JAK2JAK1TYK2JAK3CCNA2
SCHEMBL2780555 0.79 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL3357795 0.76 HDAC6 (0.36)
SCHEMBL3360272 0.74 PRKCI (0.36) JAK2JAK3
SCHEMBL3358172 0.73 ACHE (0.35)
SCHEMBL3357389 0.71 KDM4E (0.33)
SCHEMBL3658558 0.62 ALDH1A1 (0.31)
SCHEMBL3880165 0.60 ATM (0.31)
SCHEMBL7048199 0.58 KMT2A (0.57)
SCHEMBL8792979 0.58

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP claimed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 US claimed
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP disclosed
WO-2010026110-A2 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 WO disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 JAK2 1609/4885JAK1 2461/4885TYK2 2634/4885

“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.