SCHEMBL4878722

SCHEMBL4878722

Cc1ccc(N=C(N)c2ccc(-n3ccc4cccnc43)cc2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
SLC22A12 Q96S37 7/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
PARP1 P09874 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
HSP90AA1 P07900 1/20 0.32
PDE4B Q07343 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
DGAT1 O75907 1/20 0.32
CYP19A1 P11511 1/20 0.31
PTK2 Q05397 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL4902008 1.00 ADRA2A (0.40) ADRA2AADRA2BADRA2CSLC22A12CDC7
SCHEMBL4809329 0.87 ADRA2A (0.44) ADRA2AADRA2BADRA2CSLC22A12CDC7
SCHEMBL8216819 0.87 ADRA2A (0.44) ADRA2AADRA2BADRA2CSLC22A12CDC7
SCHEMBL4809335 0.87 ADRA2A (0.44) ADRA2AADRA2BADRA2CSLC22A12CDC7
SCHEMBL4873114 0.82 SLC22A12 (0.41) ADRA2AADRA2BADRA2CSLC22A12CDC7
SCHEMBL4873110 0.82 SLC22A12 (0.41) ADRA2AADRA2BADRA2CSLC22A12CDC7
SCHEMBL4810720 0.76 CDC7 (0.40) SLC22A12CDC7CDK2PARP1RAPGEF4
SCHEMBL8223459 0.76 CDC7 (0.40) SLC22A12CDC7CDK2PARP1RAPGEF4
SCHEMBL4810714 0.76 CDC7 (0.40) SLC22A12CDC7CDK2PARP1RAPGEF4
SCHEMBL4809383 0.76 SLC22A12 (0.37) SLC22A12CDC7CDK2PARP1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 ADRA2A 781/4885ADRA2B 664/4885ADRA2C 476/4885

“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.