SCHEMBL25587172

SCHEMBL25587172

CC(C)(C)c1cn(Cc2ccccc2)nc1C(C)(C)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
PARP1 P09874 1/20 0.38
RORC P51449 1/20 0.38
HTR2C P28335 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 4/20 0.37
SLC6A2 P23975 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SCD O00767 2/20 0.36
SCD5 Q86SK9 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL24417654 0.89 HTR2C (0.40) ADORA3ADORA2AADORA1PARP1RORC
SCHEMBL25587168 0.87 RAB9A (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1CYP19A1
SCHEMBL25589178 0.85 MAPT (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL25587174 0.84 L3MBTL1 (0.49) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL25587173 0.80 ALDH1A1 (0.47) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL25587171 0.77 RECQL (0.34) NPC1SMN1; SMN2KDM4E
SCHEMBL6036214 0.75 HTR2C (0.39) ADORA3ADORA2AADORA1PARP1RORC
SCHEMBL25587170 0.74 L3MBTL1 (0.30) L3MBTL1
SCHEMBL7249884 0.72 HTR2C (0.35) ADORA3ADORA2AADORA1PARP1HTR2C
SCHEMBL25588981 0.72

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 ADORA3 4848/4885ADORA2A 4676/4885ADORA1 4869/4885

“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.