SCHEMBL22947375

SCHEMBL22947375

c1ccc(-c2nc(-c3ccncc3)nc(-c3cccc4c3-c3ccccc3S4(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
NOTUM Q6P988 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
HSD17B10 Q99714 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL22949087 0.95 SMN1; SMN2 (0.38) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22947650 0.93 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22947384 0.93 ADORA2A (0.40) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL22949634 0.90 ADORA3 (0.38) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL22947637 0.90 ADORA3 (0.38) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL22948448 0.89 TSHR (0.37) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22949646 0.88 ALDH1A1 (0.41) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22947426 0.87 ADORA2A (0.38) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL22948675 0.86 MEN1 (0.36) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22947349 0.86 ADORA2A (0.35) MAPTALDH1A1TSHRKMT2AMEN1

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 SMN1; SMN2 3681/4885MAPT 3103/4885ALDH1A1 752/4885

“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.