SCHEMBL12729751

SCHEMBL12729751

CCOc1ncc(C(=O)N2CCOCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 5/20 0.58
▸ LRRK2 Q5S007 8/20 0.55
▸ NEK2 P51955 1/20 0.54
▸ PTK2 Q05397 2/20 0.53
▸ AURKA O14965 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ ALK Q9UM73 3/20 0.52
▸ MET P08581 1/20 0.51
▸ ZAP70 P43403 1/20 0.49
▸ INSR P06213 1/20 0.49
▸ MAP3K9 P80192 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ EGFR P00533 1/20 0.48

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
SCHEMBL10208081 0.84 LRRK2 (0.71) LRRK2ALKZAP70INSRMAP3K9
SCHEMBL12780345 0.80 ZAP70 (0.71) AXLLRRK2NEK2PTK2AURKA
SCHEMBL12781911 0.80 ALK (0.59) AXLLRRK2NEK2AURKAAURKB
SCHEMBL1912025 0.79 LRRK2 (0.75) LRRK2ZAP70MAP3K9MKNK2
SCHEMBL12781733 0.77 ALK (0.64) AXLLRRK2NEK2AURKAAURKB
SCHEMBL10208093 0.76 LRRK2 (0.68) LRRK2ZAP70MAP3K9MKNK2
SCHEMBL12781251 0.76 ALK (0.66) AXLLRRK2NEK2AURKAAURKB
SCHEMBL12892790 0.76 ZAP70 (0.69) AXLLRRK2NEK2PTK2AURKA
SCHEMBL886692 0.76 ALK (0.65) ALKINSR
SCHEMBL10209621 0.76 LRRK2 (0.67) LRRK2ZAP70MAP3K9MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287156-B1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-05-29 — — 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
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 AXL 1637/4885LRRK2 3211/4885NEK2 618/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD AXL 1754/4885LRRK2 3157/4885NEK2 587/4885

“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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