SCHEMBL1911944

SCHEMBL1911944

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCC)ncc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.74
▸ MKNK2 Q9HBH9 2/20 0.62
▸ MAP3K9 P80192 1/20 0.62
▸ CDC7 O00311 1/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ DCLK1 O15075 1/20 0.58
▸ PDPK1 O15530 1/20 0.58
▸ DAPK3 O43293 1/20 0.58
▸ DYRK3 O43781 1/20 0.58
▸ JAK2 O60674 1/20 0.58
▸ PRKD3 O94806 1/20 0.58
▸ PAK4 O96013 1/20 0.58
▸ CHEK2 O96017 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ ERBB2 P04626 1/20 0.58
▸ PRKCG P05129 1/20 0.58
▸ INSR P06213 1/20 0.58
▸ LCK P06239 1/20 0.58

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
SCHEMBL1912104 0.94 LRRK2 (0.71) LRRK2MKNK2MAP3K9CDC7PLK4
SCHEMBL12728771 0.90 LRRK2 (0.70) LRRK2MKNK2MAP3K9CDC7PLK4
SCHEMBL14981326 0.89 LRRK2 (0.79) LRRK2MKNK2MAP3K9
SCHEMBL14981294 0.87 PTK2 (0.72) LRRK2JAK2EGFRINSRIGF1R
SCHEMBL1911966 0.86 ALK (0.62) LRRK2MKNK2MAP3K9CDC7PLK4
SCHEMBL12780618 0.86 MAPK9 (0.61) LRRK2MKNK2CDC7PLK4CHEK1
SCHEMBL12780545 0.85 LRRK2 (0.66) LRRK2MKNK2MAP3K9JAK2
SCHEMBL7456103 0.85 LRRK2 (1.00) LRRK2MKNK2MAP3K9
SCHEMBL1912025 0.85 LRRK2 (0.75) LRRK2MKNK2MAP3K9
SCHEMBL1911938 0.83 ALK (0.64) LRRK2MKNK2CDC7PLK4CHEK1

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 6 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-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.

Send feedback