SCHEMBL1911966

SCHEMBL1911966

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2OC)ncc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.62
▸ LRRK2 Q5S007 13/20 0.61
▸ MAP4K1 Q92918 1/20 0.58
▸ MKNK2 Q9HBH9 2/20 0.58
▸ MAP3K9 P80192 1/20 0.58
▸ INSR P06213 4/20 0.58
▸ IGF1R P08069 4/20 0.58
▸ MET P08581 3/20 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
▸ DAPK3 O43293 1/20 0.57
▸ DYRK3 O43781 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ PAK4 O96013 1/20 0.57
▸ CHEK2 O96017 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
SCHEMBL1912104 0.92 LRRK2 (0.71) ALKLRRK2MKNK2MAP3K9INSR
SCHEMBL1911944 0.86 LRRK2 (0.74) ALKLRRK2MKNK2MAP3K9INSR
SCHEMBL14556271 0.83 LRRK2 (0.86) LRRK2MKNK2MAP3K9
SCHEMBL12780545 0.83 LRRK2 (0.66) LRRK2MKNK2MAP3K9JAK2
SCHEMBL1911954 0.83 LRRK2 (0.65) ALKLRRK2MAP4K1MKNK2MAP3K9
SCHEMBL14981287 0.82 LRRK2 (0.65) ALKLRRK2MKNK2MAP3K9INSR
SCHEMBL12728771 0.82 LRRK2 (0.70) ALKLRRK2MKNK2MAP3K9INSR
SCHEMBL886218 0.79 MAP4K1 (0.65) ALKMAP4K1INSRMET
SCHEMBL12781157 0.79 ALK (0.65) ALKLRRK2MAP4K1MKNK2INSR
SCHEMBL12781588 0.79 ALK (0.57) ALKLRRK2MAP4K1MKNK2INSR

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 3384/4885LRRK2 3211/4885MAP4K1 1058/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885LRRK2 3157/4885MAP4K1 1187/4885

“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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