SCHEMBL14768699

SCHEMBL14768699

C=C1N=C(N)C=CN1C1O[C@H](CO)[C@@H](O)C1(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ CDA P32320 8/20 0.39
▸ ADORA2A P29274 2/20 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
SCHEMBL7026520 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL799686 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL799668 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL20345667 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL10324251 1.00 PDE4D (0.46) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL15617563 0.89 PDE4D (0.35) PDE4DPDE3ASLC29A1
SCHEMBL12758154 0.88 PDE4D (0.37) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL14073159 0.88 PDE4D (0.37) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL15334647 0.88 PDE4D (0.37) PDE4DPDE3ASLC29A1CDAADORA2A
SCHEMBL14262807 0.88 PDE4D (0.37) PDE4DPDE3ASLC29A1CDAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 — — 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-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 PDE4D 3186/4885PDE3A 2116/4885SLC29A1 2991/4885

“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.

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