SCHEMBL21130164

SCHEMBL21130164

Cc1cc(N)c(C=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 5/20 0.37
ERN1 O75460 5/20 0.36
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CD44 P16070 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL24576666 0.94 ALDH1A1 (0.35) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL3204262 0.84 TSHR (0.48) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL8444257 0.82 TSHR (0.52) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL3197190 0.81 ERN1 (0.41) TSHRALDH1A1ERN1KDM4ETDP1
SCHEMBL5504159 0.79 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1ERN1KDM4E
SCHEMBL12181242 0.78 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1SLC6A2
SCHEMBL365835 0.77 ALDH1A1 (0.39) TSHRCYP3A4ALDH1A1ERN1KDM4E
SCHEMBL25037161 0.77 TSHR (0.41) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL23133508 0.77 GRIA1 (0.41) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL19269479 0.77 TSHR (0.41) TSHRCYP3A4MAPK1ALDH1A1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724190-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LTD (IN) 2022-07-06 EP disclosed
US-20210163486-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LIMITED (IN) 2021-06-03 US disclosed
WO-2019116302-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LIMITED (IN) 2019-06-20 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 (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-20210163486-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 TSHR 3684/4885CYP3A4 1372/4885MAPK1 1149/4885

“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.