SCHEMBL4876566

SCHEMBL4876566

Cc1cnc2c(ccn2-c2ccc(-c3nc(-c4ccccn4)cn3-c3ccc(C)nc3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.36
PTGS1 P23219 3/20 0.35
FLT3 P36888 1/20 0.34
PTGS2 P35354 6/20 0.34
PDE10A Q9Y233 3/20 0.34
MAPT P10636 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPP1CA P62136 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTK2 Q05397 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
SCHEMBL4809173 0.90 DGAT1 (0.35) DGAT1PTGS1FLT3PTGS2PDE10A
SCHEMBL4806996 0.90 PTGS2 (0.39) DGAT1PTGS1FLT3PTGS2PDE10A
SCHEMBL4808476 0.90 PTGS1 (0.38) DGAT1PTGS1FLT3PTGS2PDE10A
SCHEMBL4878202 0.86 MKNK2 (0.42) DGAT1PTGS1FLT3PTGS2MAPT
SCHEMBL4878495 0.84 PTGS1 (0.36) PTGS1FLT3PTGS2PDE10AMAPT
SCHEMBL4859211 0.81 MAPT (0.42) PTGS1PTGS2MAPTPTK2
SCHEMBL4806012 0.81 TGFBR1 (0.44) PTGS1PTGS2MAPTIRAK4
SCHEMBL4878767 0.81 MAPT (0.54) PTGS2MAPT
SCHEMBL4807541 0.81 MAPT (0.43) PTGS1PTGS2MAPTIRAK4CYP1A2
SCHEMBL4847364 0.80 RAPGEF4 (0.33) DGAT1FLT3PTGS2PDE10AMAPT

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 DGAT1 2139/4885PTGS1 527/4885FLT3 2160/4885

“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.