SCHEMBL16339370

SCHEMBL16339370

COc1cc(N2CCNC(C)C2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.42
▸ BRPF1 P55201 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ ZAP70 P43403 3/20 0.41
▸ IKBKB O14920 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MCHR1 Q99705 2/20 0.37
▸ USP28 Q96RU2 2/20 0.36
▸ USP25 Q9UHP3 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ BMPR1A P36894 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ACVRL1 P37023 1/20 0.35
▸ HAMP P81172 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ BCL6 P41182 4/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL16339353 0.89 IKBKE (0.39) BRPF1ZAP70BCL6PDE4APDE4B
SCHEMBL16339292 0.85 HDAC1 (0.41) HDAC1BRPF1BRD4ZAP70HTT
SCHEMBL16339859 0.85 LCK (0.39) BRPF1ZAP70HTTUSP28USP25
SCHEMBL24033324 0.84 HDAC1 (0.45) HDAC1IKBKBHTTMCHR1USP28
SCHEMBL16339612 0.84 HDAC1 (0.60) HDAC1HTT
SCHEMBL24033465 0.84 HDAC1 (0.45) HDAC1IKBKBHTTMCHR1USP28
Hydrochloric Acid SCHEMBL17765378 0.84 HDAC1 (0.59) HDAC1HTT
SCHEMBL25095848 0.82 BRPF1 (0.41) HDAC1BRPF1BRD4ZAP70HTT
SCHEMBL16339445 0.81 LCK (0.41) HTTMCHR1USP28USP25
SCHEMBL31485476 0.81 HTT (0.46) HDAC1HTTUSP28USP25FGFR1

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 16 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
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 HDAC1 453/4885BRPF1 1152/4885BRD4 2013/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM HDAC1 453/4885BRPF1 1152/4885BRD4 2013/4885

“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