SCHEMBL16339295

SCHEMBL16339295

COc1nc(N2CCNC(C)(C)C2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ CTNNB1 P35222 1/20 0.38
▸ TCF7L2 Q9NQB0 1/20 0.38
▸ PRKCQ Q04759 1/20 0.35
▸ FGFR3 P22607 3/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ FGFR2 P21802 2/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ GPR6 P46095 5/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PTK6 Q13882 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16339854 0.88 HDAC3 (0.39) IRAK4GPR6RAB9ANPC1PTK6
SCHEMBL16339438 0.85 HDAC3 (0.37) IRAK4GPR6RAB9ANPC1PTK6
SCHEMBL16339292 0.85 HDAC1 (0.41) HDAC1CTNNB1TCF7L2GPR6
SCHEMBL25097072 0.81 FGFR3 (0.40) HDAC1IRAK4CTNNB1TCF7L2PRKCQ
SCHEMBL30217847 0.81 FGFR3 (0.40) HDAC1IRAK4CTNNB1TCF7L2PRKCQ
SCHEMBL16339136 0.79 IDH1 (0.37) RAB9ANPC1PTK6LCKAURKB
SCHEMBL25096671 0.79 CTNNB1 (0.40) HDAC1IRAK4CTNNB1TCF7L2FGFR3
SCHEMBL16339057 0.79 SUV39H2 (0.42) TSHRSMN1; SMN2MAPT
SCHEMBL25104953 0.79 CTNNB1 (0.38) HDAC1IRAK4CTNNB1TCF7L2RAB9A
SCHEMBL26769278 0.79 IRAK4 (0.41) HDAC1IRAK4CTNNB1TCF7L2FGFR3

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 HDAC1 453/4885IRAK4 3663/4885CTNNB1 4234/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM HDAC1 453/4885IRAK4 3663/4885CTNNB1 4234/4885

“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