SCHEMBL16333363

SCHEMBL16333363

Cc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)cc(Cl)c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ USP30 Q70CQ3 3/20 0.38
▸ USP25 Q9UHP3 4/20 0.37
▸ USP28 Q96RU2 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTNNB1 P35222 4/20 0.36
▸ TCF7L2 Q9NQB0 4/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ MT-CO2 P00403 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
Hydrochloric Acid SCHEMBL16339545 0.99 IKBKB (0.39) IKBKBALDH1A1L3MBTL1USP30USP25
SCHEMBL16339342 0.92 USP30 (0.39) IKBKBUSP30USP25USP28MAPT
SCHEMBL16339343 0.92 USP30 (0.39) IKBKBUSP30USP25USP28MAPT
SCHEMBL16339556 0.92 USP30 (0.39) IKBKBUSP30USP25USP28MAPT
Hydrochloric Acid SCHEMBL16339286 0.91 USP30 (0.39) IKBKBUSP30USP25USP28MAPT
Hydrochloric Acid SCHEMBL16339166 0.91 USP30 (0.39) IKBKBUSP30USP25USP28MAPT
Hydrochloric Acid SCHEMBL16339306 0.91 USP30 (0.39) IKBKBUSP30USP25USP28MAPT
SCHEMBL16339454 0.91 USP30 (0.39) IKBKBUSP30USP25USP28MAPT
Hydrochloric Acid SCHEMBL16339284 0.91 USP30 (0.39) IKBKBUSP30USP25USP28MAPT
Hydrochloric Acid SCHEMBL17765377 0.91 USP30 (0.38) IKBKBUSP30USP25USP28MAPT

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 15 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 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
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
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 IKBKB 1456/4885ALDH1A1 798/4885L3MBTL1 3246/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM IKBKB 1456/4885ALDH1A1 798/4885L3MBTL1 3246/4885

“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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