SCHEMBL16824836

SCHEMBL16824836

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
BRAF P15056 1/20 0.39
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39
KCNQ2 O43526 1/20 0.38
LGMN Q99538 1/20 0.38
ATM Q13315 1/20 0.38
AKR1C3 P42330 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
SCHEMBL16824933 0.85 MAPT (0.43) MAPTSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL17536983 0.85 SMN1; SMN2 (0.50) MAPTSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL16824825 0.81 ALDH1A1 (0.54) MAPTSMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL24630249 0.81 MAPT (0.61) MAPTSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL29769230 0.81 MAPT (0.61) MAPTSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL16824848 0.79 MAPT (0.58) MAPTSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL29949140 0.79 MAPT (0.58) MAPTSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL13244136 0.77 SMN1; SMN2 (0.44) MAPTSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL188672 0.76 MAPT (0.61) MAPTSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL17536985 0.75 SMN1; SMN2 (0.45) MAPTSMN1; SMN2GAANPC1LMNA

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 5 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-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 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 (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-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 MAPT 3728/4885SMN1; SMN2 4422/4885GAA 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.