SCHEMBL1912028

SCHEMBL1912028

CCOc1cc(N2CCN(CC)CC2)ccc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)NC)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.60
▸ ULK1 O75385 1/20 0.58
▸ GSK3A P49840 2/20 0.54
▸ LRRK2 Q5S007 1/20 0.54
▸ MAPK15 Q8TD08 1/20 0.54
▸ CAMKK2 Q96RR4 1/20 0.54
▸ CDC7 O00311 1/20 0.52
▸ PLK4 O00444 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ DCLK1 O15075 1/20 0.52
▸ PDPK1 O15530 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ CHEK2 O96017 1/20 0.52
▸ EGFR P00533 1/20 0.52

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
SCHEMBL1912073 0.93 ALK (0.60) ALKULK1GSK3ALRRK2MAPK15
SCHEMBL1912070 0.92 ZAP70 (0.59) ALKULK1GSK3ALRRK2CAMKK2
SCHEMBL12917674 0.91 ULK1 (0.58) ALKULK1GSK3ACDC7PLK4
SCHEMBL1912069 0.91 ALK (0.58) ALKULK1GSK3ALRRK2MAPK15
SCHEMBL12780162 0.91 ULK1 (0.71) ALKULK1GSK3ALRRK2MAPK15
SCHEMBL1911959 0.91 ULK1 (0.71) ALKULK1GSK3ACDC7PLK4
SCHEMBL12729257 0.90 ALK (0.75) ALKGSK3ACDC7PLK4CHEK1
SCHEMBL12781521 0.85 ZAP70 (0.64) ALKULK1GSK3ALRRK2MAPK15
SCHEMBL1912026 0.85 ZAP70 (0.64) ALKULK1GSK3ALRRK2MAPK15
SCHEMBL1911961 0.84 EGFR (0.65) ALKULK1LRRK2MAPK15CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ALK 3384/4885ULK1 2595/4885GSK3A 4234/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885ULK1 2458/4885GSK3A 4153/4885

“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.

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