SCHEMBL31441687

SCHEMBL31441687

C[C@@H]1CN(c2ccn3ncc(Br)c3n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.53
▸ HDAC1 Q13547 1/20 0.49
▸ NTRK1 P04629 2/20 0.48
▸ GPR119 Q8TDV5 2/20 0.44
▸ SMPD3 Q9NY59 6/20 0.42
▸ SUV39H2 Q9H5I1 2/20 0.41
▸ SETD7 Q8WTS6 1/20 0.41
▸ SPR P35270 2/20 0.41
▸ NR1H2 P55055 1/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ RET P07949 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
SCHEMBL31441513 1.00 MAP4K4 (0.53) MAP4K4HDAC1NTRK1GPR119SMPD3
SCHEMBL31441655 0.87 NR1H2 (0.49) MAP4K4HDAC1NTRK1SMPD3SUV39H2
SCHEMBL15261397 0.83 RET (0.52) MAP4K4GPR119SMPD3SUV39H2RET
SCHEMBL30172436 0.80 NTRK1 (0.44) NTRK1
SCHEMBL31383595 0.79 MAP4K4 (0.58) MAP4K4HDAC1GPR119SUV39H2SETD7
SCHEMBL31383652 0.79 MAP4K4 (0.58) MAP4K4HDAC1GPR119SUV39H2SETD7
SCHEMBL31441616 0.78 SUV39H2 (0.56) MAP4K4SUV39H2
SCHEMBL15280693 0.78 SUV39H2 (0.56) MAP4K4SUV39H2
SCHEMBL4573301 0.78 MAP4K4 (0.58) MAP4K4HDAC1GPR119SUV39H2SETD7
SCHEMBL8117492 0.78 MAP4K4 (0.58) MAP4K4HDAC1GPR119SUV39H2SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270222-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF SATELLOS BIOSCIENCE INC. (CA) 2025-08-28 — — US disclosed
US-20250122207-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF SATELLOS BIOSCIENCE INC. (CA) 2025-04-17 — — US disclosed
WO-2025054448-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF SATELLOS BIOSCIENCE INC. (CA) 2025-03-13 — — WO 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-20250122207-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF AAK1, CAMKK1, AP2A1 MAP4K4 82/4885HDAC1 1551/4885NTRK1 1008/4885
US-20250270222-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF AAK1, AP2A1, CSNK1A1 MAP4K4 75/4885HDAC1 1375/4885NTRK1 721/4885

“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.

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