SCHEMBL16339057

SCHEMBL16339057

COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 3/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GALR2 O43603 1/20 0.42
▸ GALR1 P47211 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ THRB P10828 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ KIF18A Q8NI77 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ SMPD3 Q9NY59 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
SCHEMBL30423033 0.87 PTPN11 (0.54) PTPN11MAPTMEN1TSHRKMT2A
SCHEMBL16339854 0.85 HDAC3 (0.39) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL16339293 0.83 MAPT (0.54) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL30312613 0.83 PTPN11 (0.44) PTPN11MAPTMEN1TSHRKMT2A
SCHEMBL25096320 0.82 PTPN11 (0.46) PTPN11MAPTMEN1TSHRKMT2A
SCHEMBL30217787 0.82 PTPN11 (0.46) PTPN11MAPTMEN1TSHRKMT2A
SCHEMBL30217703 0.82 BACE1 (0.40) PTPN11MAPTGALR2GALR1MEN1
SCHEMBL25095784 0.82 BACE1 (0.40) PTPN11MAPTGALR2GALR1MEN1
SCHEMBL31211252 0.82 PTPN11 (0.39) PTPN11MAPTGALR2GALR1MEN1
SCHEMBL25095913 0.82 MAPT (0.44) PTPN11MAPTGALR2GALR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY Hoffmann-La Roche Inc. and PTC Therapeutics Inc. 2018-08-09 — — US disclosed
EP-3013345-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2017-11-22 — — EP disclosed
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2016-05-26 — — US disclosed
EP-3013345-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. Hoffmann-La Roche AG (CH) 2016-05-04 — — EP disclosed
WO-2014209841-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2014-12-31 — — 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-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM SUV39H2 2844/4885PTPN11 3935/4885MAPT 563/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM SUV39H2 2844/4885PTPN11 3935/4885MAPT 563/4885

“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.

Send feedback