SCHEMBL25587173

SCHEMBL25587173

CC(C)(C)c1cn(Cc2ccccc2F)nc1C(C)(C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.46
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
KLKB1 P03952 1/20 0.37
NPC1 O15118 3/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 2/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL25587172 0.80 ADORA3 (0.39) L3MBTL1MAPTADORA3ADORA2AADORA1
SCHEMBL25589178 0.78 MAPT (0.42) ALDH1A1KMT2AL3MBTL1MAPTNPC1
SCHEMBL25587174 0.76 L3MBTL1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL25587168 0.73 RAB9A (0.42) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL25587171 0.73 RECQL (0.34) ALDH1A1NPC1SMN1; SMN2HTT
SCHEMBL25587170 0.70 L3MBTL1 (0.30) L3MBTL1
SCHEMBL24015555 0.70 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL24417654 0.69 HTR2C (0.40) ALDH1A1L3MBTL1MAPTADORA3ADORA2A
SCHEMBL25587185 0.68
SCHEMBL25588981 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 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-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP ALDH1A1 3857/4885KMT2A 2680/4885MEN1 2905/4885

“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.