Sugi Predict

Sugi Predict / Compounds / SCHEMBL4811993

SCHEMBL4811993

SCHEMBL4811993

Cc1cn(-c2ccc(-c3nc(-c4ccccn4)cn3-c3cccnc3)cc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.60
▸ CYP2E1 P05181 2/20 0.60
▸ WNT3A P56704 1/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ PDGFRB P09619 1/20 0.37

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
SCHEMBL4809561 0.85 CYP3A4 (0.52) CYP2A6MAOAMAOBCYP3A4ABL1
SCHEMBL4808663 0.83 CYP2A6 (0.54) CYP2A6CYP2E1PTGS2GRM5CYP3A4
SCHEMBL4810066 0.81 CYP2A6 (0.45) CYP2A6CYP2E1PTGS2GRM5CYP3A4
SCHEMBL4806280 0.80 CYP2A6 (0.42) CYP2A6CYP2E1PTGS2GRM5CYP3A4
SCHEMBL4812854 0.79 MAPT (0.58) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4877197 0.79 MAPT (0.45) CYP2A6CYP2E1PTGS2GRM5CYP3A4
SCHEMBL4875563 0.79 PDE10A (0.45) CYP2A6CYP3A4PTGS1CYP1A2CYP2D6
SCHEMBL4808161 0.78 PTGS1 (0.39) CYP2A6PTGS2GRM5FLT3PTGS1
SCHEMBL4875437 0.77 MAPT (0.47) CYP2A6CYP2E1PTGS2GRM5CYP3A4
SCHEMBL4859211 0.77 MAPT (0.42) CYP2A6CYP2E1PTGS2GRM5CYP3A4

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 7 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
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
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 CYP2A6 157/4885CYP2E1 384/4885WNT3A 4104/4885

“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.