SCHEMBL1313081

SCHEMBL1313081

CCCCCCCc1cn(-c2ccc(CN)cc2)nn1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.68
▸ BCHE P06276 1/20 0.52
▸ SPHK1 Q9NYA1 1/20 0.52
▸ CYP19A1 P11511 6/20 0.49
▸ CA12 O43570 3/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ MAOA P21397 2/20 0.48
▸ NOTUM Q6P988 1/20 0.48
▸ DDX3X O00571 3/20 0.47
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46

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
SCHEMBL13527252 0.89 MIF (0.60) MIFBCHESPHK1CA12CA1
SCHEMBL15060892 0.87 MIF (0.62) MIFBCHESPHK1CA12CA1
SCHEMBL15923943 0.85 MIF (0.71) MIFBCHESPHK1CYP19A1CA12
SCHEMBL13527245 0.84 MIF (0.69) MIFBCHESPHK1CYP19A1CA12
SCHEMBL18031111 0.83 MIF (0.97) MIFBCHESPHK1CYP19A1DDX3X
SCHEMBL15923549 0.83 MIF (0.97) MIFBCHESPHK1CYP19A1DDX3X
SCHEMBL16271203 0.82 MIF (0.71) MIFCYP19A1MAOANOTUMDDX3X
SCHEMBL15060974 0.82 MIF (0.71) MIFBCHESPHK1CA12CA1
SCHEMBL13527214 0.82 MIF (0.67) MIFBCHESPHK1CYP19A1CA12
SCHEMBL13527045 0.82 MIF (0.62) MIFBCHESPHK1CYP19A1CA12

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 — — WO 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 MIF 978/4885BCHE 3532/4885SPHK1 1/4885

“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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