SCHEMBL17536983

SCHEMBL17536983

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 3/20 0.44
AOC3 Q16853 2/20 0.43
KDM4E B2RXH2 3/20 0.40
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
GFER P55789 1/20 0.39
YWHAG P61981 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL18186252 0.88 MAPT (0.51) SMN1; SMN2GAAMAPTNPC1KDM4E
SCHEMBL18186346 0.87 HTT (0.52) SMN1; SMN2GAAMAPTNPC1KDM4E
SCHEMBL16824836 0.85 MAPT (0.48) SMN1; SMN2GAAMAPTNPC1AKR1C3
SCHEMBL17536985 0.84 SMN1; SMN2 (0.45) SMN1; SMN2GAAMAPTNPC1AOC3
SCHEMBL16824848 0.84 MAPT (0.58) SMN1; SMN2GAAMAPTNPC1KDM4E
SCHEMBL29949140 0.84 MAPT (0.58) SMN1; SMN2GAAMAPTNPC1KDM4E
SCHEMBL18186413 0.84 GFER (0.49) GAAMAPTKDM4EALDH1A1ALOX15
SCHEMBL13244136 0.81 SMN1; SMN2 (0.44) SMN1; SMN2GAAMAPTNPC1AOC3
SCHEMBL16824880 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPC1KDM4EALDH1A1
SCHEMBL24630249 0.81 MAPT (0.61) SMN1; SMN2GAAMAPTNPC1KDM4E

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-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 (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-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS WEE1, WEE2, NME1 SMN1; SMN2 4526/4885GAA 2022/4885MAPT 3926/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 SMN1; SMN2 4422/4885GAA 1730/4885MAPT 3728/4885

“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.