SCHEMBL4874015

SCHEMBL4874015

Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(-n3ncc4ccncc43)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.44
MAPT P10636 1/20 0.40
KHK P50053 2/20 0.36
PTGS2 P35354 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP11B2 P19099 1/20 0.34
ATM Q13315 1/20 0.33
AOC3 Q16853 1/20 0.33
TGFBR1 P36897 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4875800 0.86 IRAK4 (0.43) IRAK4MAPTKHKCYP2A6CYP11B2
SCHEMBL4878767 0.85 MAPT (0.54) MAPTPTGS2TGFBR1
SCHEMBL4806012 0.83 TGFBR1 (0.44) IRAK4MAPTPTGS2CYP2A6ATM
SCHEMBL4808161 0.80 PTGS1 (0.39) IRAK4MAPTPTGS2CYP2A6PTGS1
SCHEMBL4811542 0.77 HDAC6 (0.40) IRAK4MAPTPTGS2CYP2A6PTGS1
SCHEMBL4807541 0.76 MAPT (0.43) IRAK4MAPTPTGS2PTGS1KDM4E
SCHEMBL4809497 0.76 KMT2A (0.43) IRAK4MAPTPTGS2PTGS1KDM4E
SCHEMBL4879766 0.76 ATM (0.39) ATM
SCHEMBL14194753 0.76 MAPK10 (0.35) MAPTPTGS2CYP2A6TGFBR1
SCHEMBL4808663 0.75 CYP2A6 (0.54) MAPTPTGS2CYP2A6ATMKDM4E

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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US claimed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
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 IRAK4 2915/4885MAPT 964/4885KHK 2221/4885

“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.