SCHEMBL4089495

SCHEMBL4089495

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OCCN3CCCCC3)ccc2OC)ncc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.68
ALK Q9UM73 8/20 0.62
IGF1R P08069 3/20 0.62
AXL P30530 2/20 0.62
CDC7 O00311 2/20 0.62
PLK4 O00444 2/20 0.62
CHEK1 O14757 2/20 0.62
AURKA O14965 2/20 0.62
DCLK1 O15075 2/20 0.62
PDPK1 O15530 2/20 0.62
JAK2 O60674 2/20 0.62
ROCK2 O75116 2/20 0.62
PRKD3 O94806 2/20 0.62
MAP4K4 O95819 2/20 0.62
PAK4 O96013 2/20 0.62
CHEK2 O96017 2/20 0.62
EGFR P00533 2/20 0.62
ERBB2 P04626 2/20 0.62
NTRK1 P04629 2/20 0.62
PRKCG P05129 2/20 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
SCHEMBL12729336 1.00 ZAP70 (0.68) ZAP70ALKIGF1RAXLCDC7
SCHEMBL1912110 0.99 ZAP70 (0.69) ZAP70ALKIGF1RAXLCDC7
SCHEMBL12729507 0.93 ULK1 (0.67) ZAP70ALKIGF1RAXLCDC7
SCHEMBL4089533 0.91 ZAP70 (0.64) ZAP70ALKIGF1RAXLCDC7
SCHEMBL1912109 0.91 AXL (0.66) ZAP70ALKIGF1RAXLCDC7
SCHEMBL12729347 0.91 AXL (0.66) ZAP70ALKIGF1RAXLCDC7
SCHEMBL1912006 0.90 AXL (0.67) ZAP70ALKIGF1RAXLCDC7
SCHEMBL4099214 0.86 ULK1 (0.57) ZAP70ALKIGF1RAXLCDC7
SCHEMBL4096235 0.85 ZAP70 (0.65) ZAP70ALKIGF1RAXLCDC7
SCHEMBL4100010 0.85 ZAP70 (0.65) ZAP70ALKIGF1RAXLCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US claimed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP claimed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO claimed
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
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 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-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
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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 (3 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 3384/4885IGF1R 4627/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ZAP70 302/4885ALK 3200/4885IGF1R 4633/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ZAP70 1678/4885ALK 2060/4885IGF1R 4608/4885

“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.