SCHEMBL375534

SCHEMBL375534

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)ccc2OC)ncc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.65
ALK Q9UM73 9/20 0.54
INSR P06213 6/20 0.54
PLK1 P53350 4/20 0.54
CDC7 O00311 3/20 0.54
PLK4 O00444 3/20 0.54
CHEK1 O14757 3/20 0.54
DCLK1 O15075 3/20 0.54
PDPK1 O15530 3/20 0.54
JAK2 O60674 3/20 0.54
ROCK2 O75116 3/20 0.54
PRKD3 O94806 3/20 0.54
MAP4K4 O95819 3/20 0.54
PAK4 O96013 3/20 0.54
CHEK2 O96017 3/20 0.54
NTRK1 P04629 3/20 0.54
PRKCG P05129 3/20 0.54
LCK P06239 3/20 0.54
FYN P06241 3/20 0.54
CSF1R P07333 3/20 0.54

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
SCHEMBL1078876 0.80 ALK (0.48) ZAP70ALKINSRPLK1CDC7
SCHEMBL1078874 0.80 PRKCQ (0.49) ZAP70ALKINSRPLK1CDC7
SCHEMBL375886 0.78 ZAP70 (1.00) ZAP70ALKINSRPLK1CDC7
SCHEMBL10209630 0.76 ALK (0.72) ZAP70ALKINSRPLK1CDC7
SCHEMBL12729477 0.76 ZAP70 (0.77) ZAP70ALKINSRPLK1CDC7
SCHEMBL1912114 0.76 ZAP70 (0.62) ZAP70ALKINSRPLK1CDC7
SCHEMBL12780338 0.76 ALK (0.61) ZAP70ALKINSRPLK1CDC7
SCHEMBL375418 0.76 PIN1 (0.59) ZAP70ALKINSRPLK1CDC7
SCHEMBL375523 0.76 ZAP70 (0.76) ZAP70ALKINSRPLK1CDC7
SCHEMBL5408522 0.76 LRRK2 (0.65) ALKINSRPLK1CDC7PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606265-B1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-02-02 EP claimed
EP-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 US disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 US disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 US disclosed
EP-2287156-A1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders Novartis AG (CH) 2011-02-23 EP disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 US disclosed
EP-1606265-B1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-02-02 EP disclosed
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 EP disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2006-11-02 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 (4 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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ZAP70 341/4885ALK 3384/4885INSR 3201/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ZAP70 302/4885ALK 3200/4885INSR 2899/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS ZAP70 1465/4885ALK 1887/4885INSR 1913/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP ZAP70 219/4885ALK 2563/4885INSR 2447/4885

“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.