SCHEMBL12312367

SCHEMBL12312367

COc1cc(N2CCOCC2)ccc1Nc1ncc(Br)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.81
ZAP70 P43403 4/20 0.70
ALK Q9UM73 6/20 0.64
INSR P06213 4/20 0.64
IGF1R P08069 3/20 0.64
MAP4K1 Q92918 1/20 0.64
LRRK2 Q5S007 4/20 0.63
EGFR P00533 3/20 0.63
CAMKK2 Q96RR4 2/20 0.62
GSK3A P49840 1/20 0.62
MAPK15 Q8TD08 1/20 0.62
MAPK8 P45983 2/20 0.58
MAPK9 P45984 2/20 0.58
MAPK10 P53779 2/20 0.58
CDC7 O00311 1/20 0.57
PLK4 O00444 1/20 0.57
CHEK1 O14757 1/20 0.57
AURKA O14965 1/20 0.57
DCLK1 O15075 1/20 0.57
PDPK1 O15530 1/20 0.57

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
SCHEMBL4088361 0.94 ULK1 (0.72) ULK1ZAP70ALKINSRIGF1R
SCHEMBL12780629 0.91 ZAP70 (0.84) ULK1ZAP70ALKINSRIGF1R
SCHEMBL29900883 0.90 ULK1 (1.00) ULK1ZAP70ALKINSRIGF1R
SCHEMBL375608 0.90 ULK1 (1.00) ULK1ZAP70ALKINSRIGF1R
SCHEMBL12780549 0.88 ULK1 (0.84) ULK1ZAP70ALKINSRIGF1R
SCHEMBL12781809 0.86 ULK1 (0.82) ULK1ZAP70ALKINSRIGF1R
SCHEMBL12780191 0.86 ULK1 (0.81) ULK1ZAP70ALKINSRIGF1R
SCHEMBL4099380 0.85 ZAP70 (0.81) ULK1ZAP70ALKINSRIGF1R
SCHEMBL1911986 0.85 ULK1 (0.75) ULK1ZAP70ALKINSRIGF1R
SCHEMBL4100983 0.84 ZAP70 (0.79) ULK1ZAP70ALKINSRIGF1R

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 35 patents — showing the first 20. 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 claimed
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES 2023-04-27 US disclosed
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES 2023-04-27 US disclosed
WO-2021163633-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-08-19 WO disclosed
US-10774092-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-09-15 US disclosed
US-10774092-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-09-15 US disclosed
US-10689397-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-23 US disclosed
US-10689397-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-23 US disclosed
US-20190284207-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES 2019-09-19 US disclosed
US-20190284207-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES 2019-09-19 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10689397-B2 ULK1 inhibitors and methods using same ULK1, ULK2, ULK3 ULK1 1/4885ZAP70 695/4885ALK 3428/4885
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ULK1 2595/4885ZAP70 341/4885ALK 3384/4885
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS ULK1, ULK2, ULK3 ULK1 1/4885ZAP70 691/4885ALK 2565/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ULK1 2458/4885ZAP70 302/4885ALK 3200/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS ULK1 1361/4885ZAP70 1465/4885ALK 1887/4885
US-10774092-B2 ULK1 inhibitors and methods using same ULK1, ULK2, ULK3 ULK1 1/4885ZAP70 695/4885ALK 3428/4885
US-20190284207-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME ULK1, ULK2, ULK3 ULK1 1/4885ZAP70 917/4885ALK 3767/4885

“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.