SCHEMBL20299017

SCHEMBL20299017

O=[N+]([O-])c1ccc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2c1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 19/20 0.86
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
HPGD P15428 1/20 0.67
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
PDE5A O76074 1/20 0.62

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
SCHEMBL20299040 0.82 HPGD (0.76) ABCG2ALDH1A1LMNAPOLBHPGD
SCHEMBL20299204 0.81 ABCG2 (0.72) ABCG2
SCHEMBL1083761 0.81 HPGD (1.00) ABCG2ALDH1A1LMNAPOLBHPGD
SCHEMBL20299226 0.80 HPGD (0.80) ABCG2ALDH1A1LMNAPOLBHPGD
SCHEMBL415388 0.79 ABCG2 (0.64) ABCG2
SCHEMBL20547707 0.78 HPGD (0.80) ABCG2ALDH1A1LMNAPOLBHPGD
SCHEMBL7438289 0.77 PDE5A (0.79) ABCG2ALDH1A1POLBPDE5A
SCHEMBL3587306 0.74 ABCG2 (0.62) ABCG2POLB
SCHEMBL14726136 0.74 ABCG2 (0.72) ABCG2PDE5A
SCHEMBL3585835 0.73 ABCG2 (0.70) ABCG2PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558964-B1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2022-05-04 EP disclosed
EP-3558964-B1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2022-05-04 EP disclosed
US-10889560-B2 4-amino-2-pyrido-bicyclic pyrimidines and use thereof as topoisomerase II inhibitors UNIVERSITÀ DEGLI STUDI DI PADOVA (IT) 2021-01-12 US disclosed
US-10889560-B2 4-amino-2-pyrido-bicyclic pyrimidines and use thereof as topoisomerase II inhibitors UNIVERSITÀ DEGLI STUDI DI PADOVA (IT) 2021-01-12 US disclosed
EP-3558964-A1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS Fondazione Istituto Italiano di Tecnologia (IT) 2019-10-30 EP disclosed
US-20190315709-A1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-10-17 US disclosed
US-20190315709-A1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-10-17 US disclosed
WO-2018114700-A1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-06-28 WO disclosed
WO-2018114700-A1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-06-28 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 (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-20190315709-A1 4-AMINO-2-PYRIDO-BICYCLIC PYRIMIDINES AND USE THEREOF AS TOPOISOMERASE II INHIBITORS TYMP, TOP2A, TOP2B ABCG2 411/4885ALDH1A1 1963/4885LMNA 2330/4885
US-10889560-B2 4-amino-2-pyrido-bicyclic pyrimidines and use thereof as topoisomerase II inhibitors TYMP, TYMS, TOP2A ABCG2 509/4885ALDH1A1 1592/4885LMNA 2107/4885

“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.