SCHEMBL3609894

SCHEMBL3609894

CCc1nn(C2CC2)c2cc(-c3ccnn3-c3ccc(C(=O)OC)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 5/20 0.41
AXL P30530 4/20 0.41
TYRO3 Q06418 4/20 0.41
SSTR5 P35346 1/20 0.39
KHK P50053 7/20 0.38
NR3C2 P08235 1/20 0.36
PIK3CD O00329 1/20 0.36
OPRM1 P35372 1/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3596448 0.86 KHK (0.39) SSTR5KHKNR3C2PIK3CD
SCHEMBL3607823 0.86 KHK (0.41) SSTR5KHKPIK3CD
SCHEMBL3607684 0.86 KHK (0.44) SSTR5KHKNR3C2PIK3CDMAPT
SCHEMBL3607574 0.86 KHK (0.42) KHKPIK3CD
SCHEMBL3591073 0.86 KHK (0.38) KHKNR3C2PIK3CDALDH1A1
SCHEMBL3606628 0.85 PIK3CD (0.38) MERTKAXLSSTR5KHKNR3C2
SCHEMBL3603030 0.84 KHK (0.43) MERTKAXLTYRO3KHKPIK3CD
SCHEMBL3600483 0.84 MAPK9 (0.44) KHKPIK3CD
SCHEMBL3600193 0.83 PIK3CD (0.38) SSTR5KHKPIK3CDOPRM1
SCHEMBL3603806 0.83 KHK (0.41) MERTKAXLTYRO3KHKPIK3CD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 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 (3 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 MERTK 3644/4885AXL 3795/4885TYRO3 4015/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 MERTK 3644/4885AXL 3795/4885TYRO3 4015/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 MERTK 3644/4885AXL 3795/4885TYRO3 4015/4885

“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.