SCHEMBL21630003

SCHEMBL21630003

CC1(C)C(=O)N(c2ccncc2)c2cccc(Br)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
MAPK1 P28482 1/20 0.39
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APP P05067 2/20 0.36
MAPT P10636 2/20 0.36
SNCA P37840 2/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL31591784 1.00 AR (0.45) ARALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31591806 0.85 AR (0.51) ARALDH1A1CYP3A4MAPK1KDM4E
SCHEMBL21629976 0.85 AR (0.51) ARALDH1A1CYP3A4MAPK1KDM4E
SCHEMBL21629925 0.81 CCNA2 (0.34) ARMGLL
SCHEMBL31591845 0.81 CCNA2 (0.34) ARMGLL
SCHEMBL21629966 0.81 MGLL (0.34) ARMEN1KMT2AELANEPGR
SCHEMBL31591791 0.81 MGLL (0.34) ARMEN1KMT2AELANEPGR
SCHEMBL29374696 0.80 ELANE (0.32) ALDH1A1ELANEPGRMGLL
SCHEMBL21630040 0.79 LMNA (0.36) ARCYP1A2ELANELMNAL3MBTL1
SCHEMBL31591921 0.79 LMNA (0.36) ARCYP1A2ELANELMNAL3MBTL1

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 AR 2544/4885ALDH1A1 229/4885CYP1A2 278/4885

“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.