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.