SCHEMBL1399562

SCHEMBL1399562

CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.64
LMNA P02545 3/20 0.61
POLB P06746 1/20 0.55
MAPT P10636 7/20 0.54
ALDH1A1 P00352 5/20 0.51
ADRB1 P08588 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CRBN Q96SW2 1/20 0.48
GAA P10253 1/20 0.48
AKR1C3 P42330 1/20 0.47

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
SCHEMBL6821564 0.86 SIRT6 (0.61) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL30345929 0.85 SIRT6 (0.60) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL7986410 0.80 SIRT6 (0.66) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL16569815 0.80 SIRT6 (0.54) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL6151230 0.79 SIRT6 (0.81) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL15271381 0.79 SIRT6 (0.81) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL447471 0.78 SIRT6 (1.00) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL19003648 0.78 ADRA2C (0.48) LMNAPOLBMAPTALDH1A1ADRB1
SCHEMBL7048817 0.78 MAPT (0.85) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL22466224 0.78 SIRT6 (0.58) SIRT6LMNAPOLBMAPTALDH1A1

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 8 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
EP-2086540-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP disclosed
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 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 SIRT6 2096/4885LMNA 3631/4885POLB 1298/4885

“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.