SCHEMBL4851752

SCHEMBL4851752

Cc1ccc(-n2cc(-c3nc(C)cs3)nc2-c2ccc(-c3ccnc(N)c3N)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
PDE10A Q9Y233 1/20 0.34
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA3 P34903 5/20 0.34
GABRA2 P47869 5/20 0.34
TGFBR1 P36897 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GABRA5 P31644 4/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
SRC P12931 1/20 0.31
CDK2 P24941 1/20 0.31
ZAP70 P43403 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
SCHEMBL4845511 0.88 TLR7 (0.38) CYP2A6PDE10AADORA2AADORA1PTGS2
SCHEMBL4854572 0.85 PTGS1 (0.33) PTGS2PTGS1
SCHEMBL4856735 0.84 CHEK1 (0.33) PTGS2PTGS1
SCHEMBL4876491 0.83 KDM4E (0.36) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4812977 0.83 PTGS1 (0.34) CYP2A6CYP2C9TGFBR1ADORA2AADORA1
SCHEMBL4807681 0.81 CYP3A4 (0.39) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL14194744 0.77 PDE10A (0.39) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4867771 0.77 PTGS1 (0.31) PTGS2PTGS1
SCHEMBL4902397 0.75 AKT1 (0.30)
SCHEMBL4871590 0.74 MEN1 (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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 2 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 disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 CYP2E1 384/4885CYP3A4 196/4885CYP2A6 157/4885

“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.