SCHEMBL16339589

SCHEMBL16339589

Cc1cn2cc(NC(=O)c3ccc(N4CCNCC4)cc3)cc(F)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ SLC2A1 P11166 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LDLR P01130 1/20 0.43
▸ PCSK9 Q8NBP7 1/20 0.43

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 SCHEMBL16340027 0.99 ITGB3 (0.49) ITGB3ITGA2BSLC2A1NPC1RAB9A
SCHEMBL16339315 0.88 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL16339479 0.87 MEN1 (0.41) NPC1RAB9ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL16339901 0.87 MAPT (0.43) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL16339631 0.86 HDAC2 (0.51) RAB9AL3MBTL1HDAC3
SCHEMBL24032909 0.86 MAPK7 (0.44) MAPTHTTCDK4CCND3HDAC3
Hydrochloric Acid SCHEMBL17765374 0.85 HDAC2 (0.50) RAB9AL3MBTL1HDAC3
SCHEMBL17765375 0.84 HDAC3 (0.41) SLC2A1MAPTLDLRPCSK9CDK4
Hydrochloric Acid SCHEMBL25418691 0.82 HDAC3 (0.47) CDK4USP25F10HDAC3
SCHEMBL16339293 0.82 MAPT (0.54) SLC2A1SMN1; SMN2MAPTMEN1LMNA

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 19 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
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 ITGB3 2241/4885ITGA2B 1260/4885SLC2A1 2840/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM ITGB3 2241/4885ITGA2B 1260/4885SLC2A1 2840/4885

“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