SCHEMBL17536985

SCHEMBL17536985

CN(Cc1cc(N)ccc1N1CCOCC1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
AOC3 Q16853 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
CTSD P07339 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PIK3CA P42336 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PIK3R1 P27986 1/20 0.38
LMNA P02545 1/20 0.38
NR1H2 P55055 1/20 0.37
POLB P06746 2/20 0.37
BRAF P15056 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18186268 0.90 MEN1 (0.46) SMN1; SMN2MAPTGAAL3MBTL1NPC1
SCHEMBL16824933 0.87 MAPT (0.43) SMN1; SMN2MAPTGAANPC1KDM4E
SCHEMBL18186167 0.85 GFER (0.44) MAPTGAALMNANR1H2
SCHEMBL18186404 0.85 AOC3 (0.38) SMN1; SMN2MAPTGAAAOC3NPC1
SCHEMBL18186403 0.85 NR1H2 (0.37) SMN1; SMN2MAPTGAAKDM4EMEN1
SCHEMBL17536983 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MAPTGAAAOC3NPC1
SCHEMBL18186287 0.84 HTR2C (0.36) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL18186347 0.84 AOC3 (0.38) SMN1; SMN2MAPTGAAAOC3KDM4E
SCHEMBL16824900 0.83 SMN1; SMN2 (0.51) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL8174063 0.80 KMT2A (0.40) MAPTGAAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766902-B2 Wee-1 inhibiting pyrazolopyrimidinone compounds ALMAC DISCOVERY LIMITED (GB) 2020-09-08 US disclosed
US-20190248795-A1 WEE-1 INHIBITING PYRAZOLOPYRIMIDINONE COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2019-08-15 US disclosed
EP-3484887-A1 WEE-1 INHIBITING PYRAZOLOPYRIMIDINONE COMPOUNDS Almac Discovery Limited (GB) 2019-05-22 EP disclosed
WO-2018011569-A1 WEE-1 INHIBITING PYRAZOLOPYRIMIDINONE COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2018-01-18 WO disclosed
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
US-9714244-B2 Substituted pyrido[4,3-d]pyrimidines as Wee-1 inhibitors ALMAC DISCOVERY LIMITED (GB) 2017-07-25 US disclosed
EP-2984090-B1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-05-31 EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
US-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-03-03 US 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 (4 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-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS WEE1, WEE2, NME1 SMN1; SMN2 4526/4885MAPT 3926/4885GAA 2022/4885
US-20190248795-A1 WEE-1 INHIBITING PYRAZOLOPYRIMIDINONE COMPOUNDS WEE1, WEE2, PPME1 SMN1; SMN2 4569/4885MAPT 3141/4885GAA 2201/4885
US-10766902-B2 Wee-1 inhibiting pyrazolopyrimidinone compounds WEE1, WEE2, PPME1 SMN1; SMN2 4583/4885MAPT 3571/4885GAA 2447/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 SMN1; SMN2 4422/4885MAPT 3728/4885GAA 1730/4885

“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.