SCHEMBL16008226

SCHEMBL16008226

Cc1[nH]cc2c1C(=O)NC(C)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
BRD4 O60885 3/20 0.32
CREBBP Q92793 3/20 0.32
EP300 Q09472 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
CDC7 O00311 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
SCHEMBL30969634 0.67 TSHR (0.58) TSHRMEN1KMT2APGRAR
SCHEMBL14991535 0.66 TSHR (0.56) TSHRBRD4CREBBP
SCHEMBL676833 0.66 TSHR (0.56) TSHRMEN1KMT2APGRAR
SCHEMBL32691290 0.64 TSHR (0.41) TSHRMEN1KMT2APGRAR
SCHEMBL17372881 0.64 TSHR (0.45) TSHRMEN1KMT2ABRD4CREBBP
SCHEMBL509355 0.63
SCHEMBL16007861 0.63 MEN1 (0.40) TSHRMEN1KMT2ALRRK2CDC7
SCHEMBL12203700 0.63 TSHR (1.00) TSHRMEN1KMT2ABRD4CREBBP
SCHEMBL6448571 0.63 TSHR (1.00) TSHRMEN1KMT2ABRD4CREBBP
SCHEMBL3336466 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 US disclosed
WO-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 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-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 TSHR 2559/4885MEN1 948/4885KMT2A 238/4885

“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.