SCHEMBL2920114

SCHEMBL2920114

NC(=O)Cc1cn2nc(Cl)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 4/20 0.46
HTR1A P08908 3/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
CXCR3 P49682 1/20 0.41
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.32
TNF P01375 1/20 0.31

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
SCHEMBL7004173 0.86 DRD2 (0.47) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL6616907 0.81 DRD2 (0.46) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL6618313 0.79 KDM4E (0.44) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL26967652 0.79 DRD2 (0.51) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL29277966 0.79 DRD2 (0.51) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL297697 0.77 DRD2 (0.52) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL23554705 0.76 KDM4E (0.40) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL18074770 0.76 DRD2 (0.49) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL18074739 0.76 DRD2 (0.49) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL12664330 0.76 CXCR3 (0.50) DRD2DRD4DRD3HTR1AADRA1D

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
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
EP-2231661-A1 INHIBITORS OF PI3 KINASE Amgen, Inc. (US) 2010-09-29 EP disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 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-20090163489-A1 Inhibitors of PI3 kinase PIK3CA, PIK3CD, PIK3CG DRD2 4833/4885DRD4 4847/4885DRD3 4682/4885

“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.