SCHEMBL5694103

SCHEMBL5694103

Nc1nc(Cl)nc2c1ncn2C(=O)COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.46
▸ CDK1 P06493 1/20 0.44
▸ GSK3B P49841 1/20 0.42
▸ NT5E P21589 10/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHKA P35790 3/20 0.41
▸ PDE8A O60658 2/20 0.41
▸ CHKB Q9Y259 1/20 0.41
▸ PDE2A O00408 1/20 0.40

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
SCHEMBL5694118 0.86 KMT2A (0.42) GSK3BNT5EMEN1KMT2A
SCHEMBL5694209 0.81 GSK3B (0.61) GSK3BMEN1KMT2A
SCHEMBL5694208 0.79 CFTR (0.53) CFTRCDK1NT5EKMT2ACHKA
SCHEMBL5694098 0.78 XDH (0.54) MEN1KMT2A
SCHEMBL5694226 0.74 CDK1 (0.59) CFTRCDK1GSK3BCHKAPDE8A
SCHEMBL29124866 0.70 CDK1 (0.51) CFTRCDK1NT5ECHKAPDE8A
SCHEMBL5694096 0.70 CDK1 (0.45) CFTRCDK1GSK3BNT5EPDE8A
SCHEMBL2060472 0.69 PDE4A (0.67) CDK1PDE8A
SCHEMBL2385400 0.68 TK1 (0.40) MEN1KMT2A
SCHEMBL17815797 0.68 CFTR (0.67) CFTRCDK1PDE8A

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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 — — US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — EP 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB CFTR 4467/4885CDK1 447/4885GSK3B 1722/4885

“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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