SCHEMBL4812977

SCHEMBL4812977

Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(-c3ccnc(N)c3N)cc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.34
PTGS2 P35354 5/20 0.34
TGFBR1 P36897 1/20 0.34
FLT3 P36888 1/20 0.33
AKT1 P31749 3/20 0.33
AKT2 P31751 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PIK3CD O00329 1/20 0.32
CHEK2 O96017 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
F2 P00734 1/20 0.32
F12 P00748 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPP1CA P62136 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4876491 0.84 KDM4E (0.36) PTGS1PTGS2CHEK2NPC1RAB9A
SCHEMBL4854572 0.84 PTGS1 (0.33) PTGS1PTGS2CHEK2
SCHEMBL4875348 0.83 PTGS1 (0.34) PTGS1PTGS2TGFBR1FLT3IRAK4
SCHEMBL4856735 0.83 CHEK1 (0.33) PTGS1PTGS2CHEK2
SCHEMBL4851752 0.83 CYP2E1 (0.36) PTGS1PTGS2TGFBR1CYP2C9ADORA2A
SCHEMBL4845511 0.83 TLR7 (0.38) PTGS1PTGS2CHEK2ADORA2AADORA1
SCHEMBL4808161 0.81 PTGS1 (0.39) PTGS1PTGS2FLT3IRAK4CYP1A2
SCHEMBL4867771 0.80 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL14194714 0.78 PDE10A (0.42) PTGS1PTGS2FLT3NPC1MAPT
SCHEMBL4902397 0.77 AKT1 (0.30) AKT1AKT2PIK3CDCHEK2

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 PTGS1 527/4885PTGS2 854/4885TGFBR1 1344/4885

“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.