SCHEMBL4810083

SCHEMBL4810083

Fc1cccc2ccn(-c3ccc(-c4nc(-c5ccccn5)cn4-c4cccnc4)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CYP2A6 P11509 2/20 0.36
PTGS1 P23219 1/20 0.36
GRM5 P41594 3/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
PTGS2 P35354 6/20 0.34
CYP11B2 P19099 1/20 0.33
FLT3 P36888 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
SCHEMBL4859211 0.84 MAPT (0.42) MAPTCYP2A6PTGS1GRM5CYP2E1
SCHEMBL4875437 0.84 MAPT (0.47) MAPTCYP2A6PTGS1GRM5CYP2E1
SCHEMBL4869156 0.84 MAPT (0.36) MAPTCYP2A6PTGS1GRM5CYP2E1
SCHEMBL4808663 0.78 CYP2A6 (0.54) MAPTCYP2A6GRM5CYP2E1CYP3A4
SCHEMBL4875319 0.77 MAPT (0.38) MAPTCYP2A6PTGS1GRM5CYP2E1
SCHEMBL4805769 0.77 MAPT (0.39) MAPTCYP2A6PTGS1PTGS2FLT3
SCHEMBL4875800 0.77 IRAK4 (0.43) MAPTCYP2A6PTGS1CYP11B2
SCHEMBL4810066 0.77 CYP2A6 (0.45) MAPTCYP2A6PTGS1GRM5CYP2E1
SCHEMBL4809561 0.76 CYP3A4 (0.52) CYP2A6CYP3A4CYP11B2
SCHEMBL4878280 0.76 CYP2A6 (0.40) MAPTCYP2A6PTGS1GRM5CYP2E1

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
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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

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 MAPT 964/4885CYP2A6 157/4885PTGS1 527/4885

“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.