SCHEMBL10316620

SCHEMBL10316620

Cc1cc(N2CCCOCC2)nc(N2CC[C@@H](F)C2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.44
MAP3K12 Q12852 1/20 0.43
GBA1 P04062 4/20 0.39
GLA P06280 2/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACACB O00763 1/20 0.39
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
PKMYT1 Q99640 1/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10316580 0.96 IKBKB (0.47) IKBKBMAP3K12GBA1GLAALDH1A1
SCHEMBL10316621 0.84 MAP3K12 (0.48) IKBKBMAP3K12GLAALDH1A1HPGD
SCHEMBL12099918 0.80 IKBKB (0.52) IKBKBGBA1GLAALDH1A1HPGD
SCHEMBL1441610 0.80 ALDH1A1 (0.46) MAP3K12GBA1GLAALDH1A1HPGD
SCHEMBL1441608 0.80 ALDH1A1 (0.46) MAP3K12GBA1GLAALDH1A1HPGD
SCHEMBL10316582 0.79 CRHBP (0.47) IKBKBMAP3K12GLAALDH1A1HPGD
SCHEMBL1441492 0.76 IRAK4 (0.43) MAP3K12GBA1GLAALDH1A1HPGD
SCHEMBL3095284 0.75 IKBKB (0.56) IKBKBGBA1GLAALDH1A1HPGD
SCHEMBL1442112 0.74 MAPT (0.48) GBA1ALDH1A1HPGDGAAKDM4E
SCHEMBL1442108 0.74 MAPT (0.48) GBA1ALDH1A1HPGDGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238547-A1 2, 3, 6 - TRIAMINO SUBSTITUTED PYRIDINES AS KV7 (KCNQ) CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-09-20 US claimed
EP-2475656-A1 2, 3, 6 -TRIAMINO SUBSTITUTED PYRIDINES AS KV7 (KCNQ) CHANNEL MODULATORS NeuroSearch A/S (DK) 2012-07-18 EP claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20120238547-A1 2, 3, 6 - TRIAMINO SUBSTITUTED PYRIDINES AS KV7 (KCNQ) CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-09-20 US disclosed
EP-2475656-A1 2, 3, 6 -TRIAMINO SUBSTITUTED PYRIDINES AS KV7 (KCNQ) CHANNEL MODULATORS NeuroSearch A/S (DK) 2012-07-18 EP 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 (1 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-20120238547-A1 2, 3, 6 - TRIAMINO SUBSTITUTED PYRIDINES AS KV7 (KCNQ) CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ4 IKBKB 1140/4885MAP3K12 563/4885GBA1 4169/4885

“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.