SCHEMBL18159823

SCHEMBL18159823

CC1(O)CCN(c2ncc(-c3ccc4nc5n(c4c3)[C@@H](c3ccccc3)COC5)cn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.35
AOC3 Q16853 2/20 0.34
BRD4 O60885 4/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.32
ALOX5AP P20292 2/20 0.32
GRIN2B Q13224 1/20 0.32
RIPK1 Q13546 1/20 0.32
PDE10A Q9Y233 2/20 0.32
MTOR P42345 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 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
SCHEMBL18150982 0.90 TNF (0.34) TNFAOC3BRD4KCNH2MTOR
SCHEMBL18150965 0.89 TNF (0.36) TNFAOC3BRD4KCNH2
SCHEMBL18159824 0.88 TNF (0.38) TNFAOC3BRD4
SCHEMBL18150939 0.88 TNF (0.38) TNFAOC3BRD4
SCHEMBL18151021 0.88 TNF (0.34) TNFAOC3BRD4RIPK1
SCHEMBL31292071 0.88 TNF (0.39) TNFAOC3BRD4KCNH2RIPK1
SCHEMBL18151546 0.87 TNF (0.37) TNFAOC3BRD4SYKMTOR
SCHEMBL18151375 0.87 AOC3 (0.43) TNFAOC3KCNH2MTOR
SCHEMBL18150738 0.87 AOC3 (0.43) TNFAOC3KCNH2MTOR
SCHEMBL18150795 0.87 AOC3 (0.43) TNFAOC3KCNH2MTOR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885AOC3 4036/4885BRD4 2048/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 TNF 1/4885AOC3 4036/4885BRD4 2048/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885AOC3 4036/4885BRD4 2048/4885

“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.