SCHEMBL9918232

SCHEMBL9918232

C#CCC(c1cncc(-c2cncnc2)c1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.32
CYP11B1 P15538 5/20 0.32
CYP11B2 P19099 5/20 0.32
CTSL P07711 1/20 0.31

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
SCHEMBL9918857 0.85 CYP19A1 (0.31)
SCHEMBL9918876 0.85 CTSL (0.44) CTSKCYP11B1CYP11B2CTSL
SCHEMBL12251279 0.85 CTSK (0.39) CTSKCYP11B1CYP11B2CTSL
SCHEMBL9918231 0.81 MKNK1 (0.40) CYP11B1CYP11B2
SCHEMBL14790978 0.78 PYCR1 (0.31)
SCHEMBL9918873 0.78 CYP2A6 (0.33)
SCHEMBL9918848 0.76 RAF1 (0.32) CYP11B1CYP11B2
SCHEMBL9918855 0.76 CYP3A4 (0.38) CYP11B1CYP11B2
SCHEMBL19756421 0.73 PRMT5 (0.40) CTSKCYP11B1CYP11B2CTSL
SCHEMBL13774836 0.72 CTSK (0.37) CTSKCYP11B1CYP11B2CTSL

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CTSK 2870/4885CYP11B1 708/4885CYP11B2 860/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CTSK 2774/4885CYP11B1 466/4885CYP11B2 572/4885

“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.