SCHEMBL21629932

SCHEMBL21629932

CC1(C)C(=O)N(c2cncc(F)c2)c2cccc(Br)c21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 2/20 0.32
SLC6A2 P23975 1/20 0.32
ELOVL1 Q9BW60 2/20 0.32
AR P10275 1/20 0.32
CYP11B2 P19099 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.31
HDAC4 P56524 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
HSD11B1 P28845 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 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
SCHEMBL31591807 1.00 PGR (0.38) PGRMEN1KMT2ABACE1SLC6A2
SCHEMBL21629976 0.81 AR (0.51) ARCYP11B2
SCHEMBL31591806 0.81 AR (0.51) ARCYP11B2
SCHEMBL21630003 0.79 AR (0.45) PGRMEN1KMT2AARMGLL
SCHEMBL31591784 0.79 AR (0.45) PGRMEN1KMT2AARMGLL
SCHEMBL29374696 0.76 ELANE (0.32) PGRMGLL
SCHEMBL21630040 0.73 LMNA (0.36) ARMGLL
SCHEMBL31591921 0.73 LMNA (0.36) ARMGLL
SCHEMBL21629966 0.72 MGLL (0.34) PGRMEN1KMT2AARMGLL
SCHEMBL31591791 0.72 MGLL (0.34) PGRMEN1KMT2AARMGLL

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-3818052-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS Gilead Sciences, Inc. (US) 2021-05-12 EP disclosed
CN-112384505-A Therapeutic heterocyclic compounds 吉利德科学公司 2021-02-19 CN disclosed
US-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 US disclosed
US-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 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-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS SDHA, SLC10A1, CYP11B2 PGR 2187/4885MEN1 391/4885KMT2A 4157/4885

“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.