SCHEMBL2905396

SCHEMBL2905396

COc1ccc(C(Nc2ccc(-c3nnn(C4CCCCO4)n3)cc2)c2cccnc2)nc1O[C@@H]1CCOC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.31
PDE4A P27815 1/20 0.30
SOS1 Q07889 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
FGFR3 P22607 1/20 0.30
SYK P43405 2/20 0.30

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
SCHEMBL2908116 0.82 AURKA (0.36) SYK
SCHEMBL2902373 0.82 AURKA (0.36) SYK
SCHEMBL2905397 0.79 PDE4A (0.34) PDE4AFGFR3SYK
SCHEMBL2907262 0.76 PDE4D (0.38) PDE4ASOS1FGFR3
SCHEMBL2902486 0.76 PDE4D (0.38) PDE4ASOS1FGFR3
SCHEMBL2905266 0.69 PDE4A (0.44) PDE4A
SCHEMBL2908927 0.68 GPR119 (0.41) PDE4A
SCHEMBL2907952 0.68 PDE4A (0.42) PDE4A
SCHEMBL1157395 0.67 PDE4A (0.46) PDE4AFGFR3
SCHEMBL1157474 0.65 PDE4D (0.42) PDE4A

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
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B PFKFB3 2997/4885PDE4A 1/4885SOS1 4159/4885

“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.