SCHEMBL16339136

SCHEMBL16339136

CCOc1nc(N2CCNCC2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 7/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ PRMT5 O14744 5/20 0.37
▸ LCK P06239 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL16339453 0.91 IRAK4 (0.39) IDH1HDAC3HDAC2PTK6AURKB
SCHEMBL16339854 0.91 HDAC3 (0.39) HDAC3HDAC2PTK6AURKBIKBKE
SCHEMBL25418681 0.87 MAPT (0.45) LCKJAK3BTKTNK2PTK6
SCHEMBL30422856 0.87 MAPT (0.45) LCKJAK3BTKTNK2PTK6
SCHEMBL16339438 0.87 HDAC3 (0.37) HDAC3HDAC2PTK6AURKBIKBKE
Hydrochloric Acid SCHEMBL30422569 0.87 MAPT (0.45) LCKJAK3BTKTNK2PTK6
SCHEMBL16339715 0.87 HDAC3 (0.39) HDAC3HDAC2PTK6AURKBIKBKE
SCHEMBL16339445 0.86 LCK (0.41) LCKJAK3BTKTNK2PTK6
SCHEMBL31148365 0.85 MAPT (0.47) LCKJAK3BTKTNK2PTK6
SCHEMBL16339859 0.83 LCK (0.39) LCKJAK3BTKTNK2PTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021007378-A1 COMPOUNDS FOR USE IN TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2021-01-14 — — WO claimed
US-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY Hoffmann-La Roche Inc. and PTC Therapeutics Inc. 2018-08-09 — — US claimed
EP-3013345-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2017-11-22 — — EP claimed
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2016-05-26 — — US claimed
EP-3013345-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. Hoffmann-La Roche AG (CH) 2016-05-04 — — EP claimed
WO-2014209841-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2014-12-31 — — WO claimed
WO-2021007378-A1 COMPOUNDS FOR USE IN TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2021-01-14 — — WO disclosed
WO-2021007378-A1 COMPOUNDS FOR USE IN TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2021-01-14 — — WO disclosed
US-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY Hoffmann-La Roche Inc. and PTC Therapeutics Inc. 2018-08-09 — — US disclosed
US-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY Hoffmann-La Roche Inc. and PTC Therapeutics Inc. 2018-08-09 — — US disclosed
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
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
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2016-05-26 — — US 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 IDH1 2961/4885HDAC3 383/4885HDAC2 647/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM IDH1 2961/4885HDAC3 383/4885HDAC2 647/4885

“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