SCHEMBL25819621

SCHEMBL25819621

Cc1ccc(-c2ccc(N3CC[C@@H](CN4CCC5(CC4)CC(NC(=O)OCc4ccccc4)C5)[C@@H](F)C3)c(F)c2)c(OCc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.40
ROCK2 O75116 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
ENPP2 Q13822 1/20 0.34
ATXN2 Q99700 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
DPP4 P27487 4/20 0.33
DPP7 Q9UHL4 4/20 0.33
ADORA2B P29275 3/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
KCNH2 Q12809 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
RORC P51449 1/20 0.32
LIPG Q9Y5X9 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
SCHEMBL25935332 0.86 ROCK2 (0.38) SMPD3ROCK2FFAR4ENPP2ATXN2
SCHEMBL25819445 0.86 ROCK2 (0.38) SMPD3ROCK2FFAR4ENPP2ATXN2
SCHEMBL25935382 0.83 SMPD3 (0.41) SMPD3ROCK2FFAR4ENPP2ATXN2
SCHEMBL25935098 0.83 SMPD3 (0.44) SMPD3FFAR4CNR1CNR2DPP4
SCHEMBL25819574 0.80 ROCK2 (0.39) SMPD3ROCK2FFAR4ENPP2ATXN2
SCHEMBL30135876 0.80 ROCK2 (0.36) SMPD3ROCK2FFAR4ENPP2ATXN2
SCHEMBL30135749 0.79 ENPP2 (0.36) SMPD3ROCK2FFAR4ENPP2ATXN2
SCHEMBL25819407 0.77 FFAR4 (0.42) FFAR4CNR1CNR2
SCHEMBL30136109 0.76 DPP4 (0.37) SMPD3ROCK2FFAR4ENPP2ATXN2
SCHEMBL30135967 0.75 CTSL (0.39) SMPD3FFAR4CNR1CNR2DPP4

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-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 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 (2 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 SMPD3 2127/4885ROCK2 1042/4885FFAR4 4754/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 SMPD3 1790/4885ROCK2 1114/4885FFAR4 4733/4885

“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.