SCHEMBL1912104

SCHEMBL1912104

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 19/20 0.71
▸ MKNK2 Q9HBH9 2/20 0.71
▸ MAP3K9 P80192 1/20 0.71
▸ MAPK8 P45983 2/20 0.67
▸ MAPK9 P45984 2/20 0.67
▸ MAPK10 P53779 2/20 0.67
▸ CDC7 O00311 1/20 0.67
▸ PLK4 O00444 1/20 0.67
▸ CHEK1 O14757 1/20 0.67
▸ AURKA O14965 1/20 0.67
▸ DCLK1 O15075 1/20 0.67
▸ PDPK1 O15530 1/20 0.67
▸ DAPK3 O43293 1/20 0.67
▸ DYRK3 O43781 1/20 0.67
▸ JAK2 O60674 1/20 0.67
▸ PRKD3 O94806 1/20 0.67
▸ PAK4 O96013 1/20 0.67
▸ CHEK2 O96017 1/20 0.67
▸ EGFR P00533 1/20 0.67
▸ ERBB2 P04626 1/20 0.67

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
SCHEMBL1911944 0.94 LRRK2 (0.74) LRRK2MKNK2MAP3K9MAPK8MAPK9
SCHEMBL1911966 0.92 ALK (0.62) LRRK2MKNK2MAP3K9MAPK8MAPK9
SCHEMBL12780545 0.91 LRRK2 (0.66) LRRK2MKNK2MAP3K9JAK2
SCHEMBL12728771 0.90 LRRK2 (0.70) LRRK2MKNK2MAP3K9MAPK8MAPK9
SCHEMBL14981294 0.87 PTK2 (0.72) LRRK2MAPK8MAPK9MAPK10JAK2
SCHEMBL7449968 0.86 LRRK2 (0.83) LRRK2MKNK2MAP3K9
SCHEMBL29833107 0.86 INSR (0.76) LRRK2MKNK2MAP3K9INSRIGF1R
SCHEMBL12729204 0.85 LRRK2 (0.70) LRRK2MKNK2MAP3K9
SCHEMBL7454021 0.83 LRRK2 (1.00) LRRK2MKNK2MAP3K9JAK2
SCHEMBL29567607 0.83 LRRK2 (1.00) LRRK2MKNK2MAP3K9JAK2

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-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
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 LRRK2 3211/4885MKNK2 2391/4885MAP3K9 1170/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD LRRK2 3157/4885MKNK2 2595/4885MAP3K9 1268/4885

“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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