SCHEMBL20313871

SCHEMBL20313871

O=C1NC[C@@H]2CN(c3ncc(-c4ccc5nc6n(c5n4)C4(CCC6)CCc5ccccc54)cn3)CCN12

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.35
EIF2AK4 Q9P2K8 1/20 0.30

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
SCHEMBL29794845 0.89 TNF (0.34) TNF
SCHEMBL18151040 0.89 TNF (0.34) TNF
SCHEMBL29795003 0.89 TNF (0.34) TNF
SCHEMBL18151658 0.89 TNF (0.34) TNF
SCHEMBL18150697 0.84 TNF (0.35) TNFEIF2AK4
SCHEMBL29794947 0.84 TNF (0.35) TNFEIF2AK4
SCHEMBL18151744 0.80 TNF (0.39) TNFEIF2AK4
SCHEMBL20313875 0.80 AKT1 (0.35) TNF
SCHEMBL20313870 0.80 TNF (0.36) TNF
SCHEMBL20313889 0.79 TNF (0.39) TNF

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-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 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-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885EIF2AK4 1483/4885

“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.