SCHEMBL10097296

SCHEMBL10097296

CCn1c(-c2ccc(NC(=O)[C@@H]3CCCN3)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 20/20 0.55
▸ PFKFB1 P16118 19/20 0.55
▸ PFKFB2 O60825 16/20 0.55

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
SCHEMBL10095949 0.87 KDM4E (0.45) —
SCHEMBL10095321 0.87 MTNR1A (0.47) PFKFB3PFKFB1PFKFB2
SCHEMBL10095374 0.86 PFKFB3 (0.53) PFKFB3PFKFB1PFKFB2
SCHEMBL12923068 0.83 GRIK2 (0.46) PFKFB3PFKFB1PFKFB2
SCHEMBL982759 0.82 GRIK2 (0.46) PFKFB3PFKFB1PFKFB2
SCHEMBL10097246 0.81 PFKFB2 (0.47) PFKFB3PFKFB1PFKFB2
SCHEMBL10096372 0.81 SMN1; SMN2 (0.51) PFKFB3PFKFB1PFKFB2
SCHEMBL10095947 0.81 MTNR1B (0.49) PFKFB3PFKFB1PFKFB2
SCHEMBL10096389 0.80 SMN1; SMN2 (0.53) —
SCHEMBL10095989 0.80 GRIK2 (0.47) PFKFB3PFKFB1PFKFB2

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 — — US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 — — 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PFKFB3 4231/4885PFKFB1 4102/4885PFKFB2 4202/4885

“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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