SCHEMBL16664933

SCHEMBL16664933

Sc1ccnc2c1OCCO2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
BUB1 O43683 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
SCHEMBL4820283 0.83 BMPR1B (0.32)
SCHEMBL8482964 0.75 AXL (0.31) BUB1
SCHEMBL3584083 0.75 PRKCI (0.31) BUB1
SCHEMBL3581102 0.75 NCF1 (0.32) BUB1
SCHEMBL15308536 0.75 CCR1 (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL30507904 0.75 PRKCI (0.31) BUB1
SCHEMBL18739049 0.75 BUB1 (0.30) BUB1
SCHEMBL16664914 0.73 PARP1 (0.30)
SCHEMBL15306530 0.72 KIT (0.31) BUB1
SCHEMBL16019537 0.71 BUB1 (0.33) BUB1

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-20160368899-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-22 US disclosed
WO-2015058031-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 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-20160368899-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ADRA2A 4043/4885ADRA2C 3412/4885ADRA1D 3743/4885

“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.