SCHEMBL5459121

SCHEMBL5459121

CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(N4CCN(C)CC4)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KHK P50053 6/20 0.41
EML4 Q9HC35 2/20 0.39
ALK Q9UM73 2/20 0.39
PIK3CD O00329 2/20 0.38
PDE7A Q13946 1/20 0.37
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
FLT3 P36888 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MERTK Q12866 1/20 0.35
CNR2 P34972 2/20 0.35
PARP14 Q460N5 1/20 0.35
NTRK1 P04629 1/20 0.35
CDK4 P11802 1/20 0.34
KDR P35968 1/20 0.34
CFTR P13569 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL5452107 0.94 MERTK (0.40) KHKEML4ALKPIK3CDMERTK
SCHEMBL5355814 0.90 CFTR (0.38) KHKEML4ALKPIK3CDPDE7A
SCHEMBL5346457 0.88 PDE1C (0.33) PIK3CDMERTK
SCHEMBL3602836 0.88 MERTK (0.33) ALKPIK3CDMERTKCFTRPIK3CA
SCHEMBL3602702 0.88 PDE1C (0.36) MERTKNTRK1
SCHEMBL3609189 0.88 PDE1C (0.39) KHK
SCHEMBL3607708 0.88 KHK (0.37) KHKPIK3CDMERTK
SCHEMBL3607885 0.86 PDE1C (0.45) PIK3CDKDM4E
SCHEMBL3593433 0.86 PDE1C (0.35) KHKPIK3CDMERTKCFTRPIK3CA
SCHEMBL3602390 0.86 MTOR (0.33) PIK3CDMERTKCNR2MTOR

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-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US claimed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 KHK 997/4885EML4 3406/4885ALK 1809/4885

“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.