SCHEMBL25587174

SCHEMBL25587174

CC(C)(C)c1cn(Cc2cccc(F)c2)nc1C(C)(C)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL25589178 0.84 MAPT (0.42) L3MBTL1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL25587172 0.84 ADORA3 (0.39) L3MBTL1ADORA3ADORA2AADORA1KDM4E
SCHEMBL25587168 0.77 RAB9A (0.42) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL25587173 0.76 ALDH1A1 (0.47) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL24417654 0.73 HTR2C (0.40) L3MBTL1ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL16867127 0.72 L3MBTL1 (0.41) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL17458934 0.71 L3MBTL1 (0.58) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL24015544 0.71 L3MBTL1 (0.58) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL25587171 0.71 RECQL (0.34) KDM4ESMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL19170328 0.71 L3MBTL1 (0.54) L3MBTL1ADORA3ADORA2AADORA2BADORA1

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 L3MBTL1 1076/4885ADORA3 4848/4885ADORA2A 4676/4885

“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.