SCHEMBL16824854

SCHEMBL16824854

CCN1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
ALDH1A1 P00352 7/20 0.66
LMNA P02545 4/20 0.56
GAA P10253 3/20 0.53
KMT2A Q03164 2/20 0.49
WDR5 P61964 1/20 0.49
HPGD P15428 1/20 0.47
ERN1 O75460 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1969786 0.85 ALDH1A1 (0.71) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL28032257 0.83 ALDH1A1 (0.76) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL27997065 0.82 GAA (0.67) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL32688958 0.82 ALDH1A1 (0.64) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL3401900 0.82 ALDH1A1 (0.64) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL16824845 0.82 ALDH1A1 (0.74) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL6257607 0.82 ALDH1A1 (0.74) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL16824862 0.82 ALDH1A1 (0.66) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL852655 0.81 ALDH1A1 (0.66) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL30309487 0.81 ALDH1A1 (0.66) MAPTALDH1A1LMNAGAAKMT2A

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 3728/4885ALDH1A1 1940/4885LMNA 3631/4885

“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.