SCHEMBL20340464

SCHEMBL20340464

COc1cc(NC2(C#N)CCCCC2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
CYP1A2 P05177 1/20 0.48
PDE4A P27815 13/20 0.44
PDE7A Q13946 4/20 0.44
JAK3 P52333 2/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL193469 0.80 GAA (0.63) GAACYP1A2PDE4APDE7A
SCHEMBL17141154 0.77 JAK2 (0.57)
SCHEMBL21231854 0.75 GAA (0.57) GAACYP1A2PDE4APDE7A
SCHEMBL18961812 0.74 GAA (1.00) GAACYP1A2PDE4APDE7A
SCHEMBL20340463 0.74 SCN10A (0.40) SCN10A
SCHEMBL17141155 0.72 JAK2 (0.38) GAASCN10A
SCHEMBL185651 0.71 CYP1A2 (0.71) GAACYP1A2PDE4APDE7A
SCHEMBL1715548 0.70 CYP1A2 (0.73) GAACYP1A2PDE4APDE7A
SCHEMBL23215086 0.69 KMT2A (0.42) PDE4A
SCHEMBL193789 0.69 CYP1A2 (0.57) GAACYP1A2PDE4APDE7A

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-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 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-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 GAA 1645/4885CYP1A2 2289/4885PDE4A 2816/4885

“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.