SCHEMBL22949591

SCHEMBL22949591

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5[Si](c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
NTSR1 P30989 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
SCHEMBL22947277 0.94 TSHR (0.38) GPR55L3MBTL1MAPTMEN1KMT2A
SCHEMBL22572808 0.94 TSHR (0.38) GPR55L3MBTL1MAPTMEN1KMT2A
SCHEMBL22949261 0.91 TSHR (0.38) GPR55L3MBTL1MAPTMEN1KMT2A
SCHEMBL22949525 0.91 TSHR (0.40) GPR55L3MBTL1MAPTMEN1KMT2A
SCHEMBL22949566 0.87 ADORA2A (0.35) GPR55L3MBTL1MAPTMEN1KMT2A
SCHEMBL22947270 0.87 ADORA2A (0.35) GPR55L3MBTL1MAPTMEN1KMT2A
SCHEMBL23869285 0.87 KDM4E (0.41) GPR55L3MBTL1MAPTMEN1KMT2A
SCHEMBL15501800 0.86 L3MBTL1 (0.41) GPR55L3MBTL1MAPTMEN1KMT2A
SCHEMBL23869119 0.86 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22947653 0.85 L3MBTL1 (0.38) L3MBTL1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 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-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 GPR55 3700/4885L3MBTL1 3138/4885MAPT 3103/4885

“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.