Sugi Predict

Sugi Predict / Compounds / SCHEMBL16774129

SCHEMBL16774129

SCHEMBL16774129

Clc1cc(I)nc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.40
▸ CSNK2A2 P19784 1/20 0.35
▸ IP6K1 Q92551 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ PRKACA P17612 1/20 0.33

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
SCHEMBL2316808 0.80 CSNK2A1 (0.34) CSNK2A1IP6K1AURKADAPK3JAK2
SCHEMBL29574753 0.80 CSNK2A1 (0.34) CSNK2A1IP6K1AURKADAPK3JAK2
SCHEMBL14185283 0.77 PARP1 (0.40) CSNK2A1CSNK2A2PARP1DYRK1A
SCHEMBL22757469 0.77 PIM1 (0.36) CSNK2A1CSNK2A2IP6K1AURKADAPK3
SCHEMBL10399191 0.77 DPP4 (0.34) CSNK2A1IP6K1AURKADAPK3JAK2
SCHEMBL30586394 0.71 CSNK2A1 (0.41) CSNK2A1CSNK2A2AURKADAPK3JAK2
SCHEMBL2352412 0.71 CSNK2A1 (0.41) CSNK2A1CSNK2A2AURKADAPK3JAK2
SCHEMBL5935894 0.71 CSNK2A1 (0.41) CSNK2A1CSNK2A2AURKADAPK3JAK2
SCHEMBL21684954 0.67 CSNK2A1 (0.36) CSNK2A1CSNK2A2PARP1
SCHEMBL127024 0.65 AXL (0.48) CSNK2A1AURKADAPK3JAK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 — — EP disclosed
US-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 — — US disclosed
US-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 — — US disclosed
US-20170002007-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 — — US disclosed
US-20170002007-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 — — US disclosed
WO-2015080940-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-04 — — 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-20170002007-A1 A3 ADENOSINE RECEPTOR AGONISTS ADORA3, ADORA2B, ADORA1 CSNK2A1 3268/4885CSNK2A2 3128/4885IP6K1 983/4885

“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.