SCHEMBL13469381

SCHEMBL13469381

CCCCc1cn(-c2ccc(C#N)cc2)nn1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.65
MIF P14174 2/20 0.62
CYP19A1 P11511 8/20 0.57
DDX3X O00571 5/20 0.50
KCNH2 Q12809 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL1312711 0.94 MIF (0.67) NOTUMMIFCYP19A1DDX3XHSP90AA1
SCHEMBL17978544 0.81 MIF (0.67) NOTUMMIFDDX3XKCNH2
SCHEMBL28014592 0.79 CA12 (0.60) NOTUMCYP19A1
SCHEMBL17780718 0.79 NOTUM (0.72) NOTUMMIFCYP19A1HSP90AA1
SCHEMBL23451495 0.79 NOTUM (1.00) NOTUM
SCHEMBL18031109 0.77 MIF (1.00) MIFCYP19A1DDX3X
SCHEMBL29828549 0.76 MAOA (0.66) MIFDDX3X
SCHEMBL18031111 0.75 MIF (0.97) MIFCYP19A1DDX3X
SCHEMBL15923549 0.75 MIF (0.97) MIFCYP19A1DDX3X
SCHEMBL17978538 0.75 MIF (0.59) MIFDDX3XKCNH2

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-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF The United States of Americia, as represented by the Secretary, Department of Health and Human Serv (US) 2012-10-18 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-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF ADORA3, ADORA2A, ADORA1 NOTUM 4038/4885MIF 1954/4885CYP19A1 2047/4885

“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.