SCHEMBL4297488

SCHEMBL4297488

CCCC(=O)Nc1c[nH]c2ncc(-c3cccnc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.62
GSK3A P49840 1/20 0.62
AAK1 Q2M2I8 10/20 0.62
GAK O14976 1/20 0.53
STK16 O75716 1/20 0.53
PIM1 P11309 1/20 0.53
AXL P30530 1/20 0.53
NEK2 P51955 1/20 0.53
STK3 Q13188 1/20 0.53
STK11 Q15831 1/20 0.53
BMP2K Q9NSY1 1/20 0.53
TNIK Q9UKE5 1/20 0.53
NEK1 Q96PY6 1/20 0.53
CYP1A2 P05177 1/20 0.53
PDPK1 O15530 1/20 0.50
PLCG1 P19174 2/20 0.49
DYRK1A Q13627 2/20 0.49
NTRK1 P04629 1/20 0.49
PIK3CA P42336 1/20 0.49
KIT P10721 1/20 0.48

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
SCHEMBL7116485 0.89 AAK1 (0.60) GSK3BGSK3AAAK1AXLTNIK
SCHEMBL4302089 0.87 GSK3B (0.60) GSK3BGSK3AAAK1GAKSTK16
SCHEMBL7117296 0.84 AAK1 (0.65) GSK3BGSK3AAAK1AXLKIT
SCHEMBL7114155 0.84 GSK3A (0.62) GSK3BGSK3AAAK1AXLKIT
SCHEMBL7117585 0.83 AXL (0.61) GSK3BGSK3AAAK1PIM1AXL
SCHEMBL7051030 0.83 ADORA1 (0.53) GSK3BGSK3AAAK1
SCHEMBL4308629 0.83 KIT (0.57) GSK3BGSK3AAAK1DYRK1ANTRK1
SCHEMBL7117475 0.83 AAK1 (0.62) GSK3BGSK3AAAK1GAKSTK16
SCHEMBL7118114 0.83 DYRK1A (0.56) GSK3BGSK3AAAK1DYRK1A
SCHEMBL7116630 0.83 AAK1 (0.56) GSK3BGSK3AAAK1PIM1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003028724-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO claimed
US-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 US disclosed
CN-101448827-A Indole derivatives ASTRAZENECA AB (SE) 2009-06-03 CN disclosed
WO-2003028724-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 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-20090306126-A1 Indole Derivatives MTOR, IDO1, AKT1S1 GSK3B 18/4885GSK3A 23/4885AAK1 388/4885

“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.