SCHEMBL18151005

SCHEMBL18151005

COc1ccc(CN2C(=O)CCC(CBr)C2c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HCRTR2 O43614 9/20 0.49
HCRTR1 O43613 8/20 0.49
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GSK3B P49841 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL18150694 0.89 KMT2A (0.51) KMT2AMEN1HCRTR2HCRTR1TP53
SCHEMBL9027766 0.84 KMT2A (0.53) KMT2AMEN1HCRTR2HCRTR1TP53
SCHEMBL9027753 0.84 KMT2A (0.53) KMT2AMEN1HCRTR2HCRTR1TP53
SCHEMBL9027772 0.84 KMT2A (0.53) KMT2AMEN1HCRTR2HCRTR1TP53
SCHEMBL18150553 0.82 KMT2A (0.71) KMT2AMEN1HCRTR2HCRTR1TP53
SCHEMBL16796874 0.81 HCRTR2 (0.64) KMT2AMEN1HCRTR2HCRTR1SIGMAR1
SCHEMBL18150752 0.80 KMT2A (0.59) KMT2AMEN1HCRTR2HCRTR1TP53
SCHEMBL18159810 0.79 MEN1 (0.50) KMT2AMEN1HCRTR2HCRTR1ALDH1A1
SCHEMBL9167755 0.78 THRB (0.52) KMT2AMEN1HCRTR2HCRTR1TP53
SCHEMBL9167742 0.78 THRB (0.52) KMT2AMEN1HCRTR2HCRTR1TP53

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 8 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
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP 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
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO 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 KMT2A 4542/4885MEN1 2587/4885HCRTR2 1091/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 KMT2A 4542/4885MEN1 2587/4885HCRTR2 1091/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KMT2A 4542/4885MEN1 2587/4885HCRTR2 1091/4885

“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.