SCHEMBL375370

SCHEMBL375370

COc1cc(OC2CCN(C)CC2)ccc1N.COc1cc(OC2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.51
HTT P42858 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NEK2 P51955 1/20 0.40
PLK1 P53350 1/20 0.40
ALK Q9UM73 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
KCNH2 Q12809 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR6 P50406 1/20 0.39
AURKA O14965 1/20 0.39
CCNA2 P20248 1/20 0.39

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
SCHEMBL29446151 0.93 SIRT6 (0.57) SIRT6MAOAMAOBALDH1A1LMNA
SCHEMBL375364 0.93 SIRT6 (0.57) SIRT6MAOAMAOBALDH1A1LMNA
SCHEMBL1115458 0.92 SIRT6 (0.44) SIRT6HTTMAOAMAOBALDH1A1
SCHEMBL15994855 0.87 SIRT6 (0.53) SIRT6ALDH1A1LMNAMAPTALK
SCHEMBL1781593 0.87 SIRT6 (0.53) SIRT6ALDH1A1LMNAMAPTALK
SCHEMBL29446161 0.87 HRH3 (0.52) MAOAMAOBALDH1A1HRH3NEK2
SCHEMBL375544 0.87 HRH3 (0.52) MAOAMAOBALDH1A1HRH3NEK2
SCHEMBL22348656 0.85 MAPT (0.54) SIRT6MAOAMAOBALDH1A1LMNA
SCHEMBL22236053 0.85 ALDH1A1 (0.46) SIRT6HTTMAOAMAOBALDH1A1
SCHEMBL30880140 0.85 MAPT (0.54) SIRT6MAOAMAOBALDH1A1LMNA

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
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
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-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
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-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
EP-1660458-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2006-05-31 EP disclosed
WO-2005016894-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2005-02-24 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 (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 SIRT6 2287/4885HTT 3803/4885MAOA 866/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD SIRT6 2197/4885HTT 3871/4885MAOA 823/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS SIRT6 1049/4885HTT 4172/4885MAOA 2527/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP SIRT6 2258/4885HTT 4338/4885MAOA 1569/4885

“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.