SCHEMBL12729189

SCHEMBL12729189

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2OC)ncc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.66
▸ ZAP70 P43403 4/20 0.62
▸ ULK1 O75385 2/20 0.61
▸ JAK2 O60674 2/20 0.59
▸ CDC7 O00311 1/20 0.59
▸ PLK4 O00444 1/20 0.59
▸ CHEK1 O14757 1/20 0.59
▸ AURKA O14965 1/20 0.59
▸ DCLK1 O15075 1/20 0.59
▸ PDPK1 O15530 1/20 0.59
▸ DAPK3 O43293 1/20 0.59
▸ ROCK2 O75116 1/20 0.59
▸ PRKD3 O94806 1/20 0.59
▸ MAP4K4 O95819 1/20 0.59
▸ PAK4 O96013 1/20 0.59
▸ CHEK2 O96017 1/20 0.59
▸ EGFR P00533 1/20 0.59
▸ ERBB2 P04626 1/20 0.59
▸ NTRK1 P04629 1/20 0.59
▸ PRKCG P05129 1/20 0.59

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
SCHEMBL12918404 0.92 MAPK7 (0.57) LRRK2ZAP70ULK1DCLK1EGFR
SCHEMBL10207529 0.92 LRRK2 (0.65) LRRK2ZAP70ULK1JAK2PLK4
SCHEMBL10207520 0.89 ZAP70 (0.68) LRRK2ZAP70ULK1JAK2CDC7
SCHEMBL12781002 0.87 ULK1 (0.77) LRRK2ZAP70ULK1JAK2CDC7
SCHEMBL12918023 0.86 MAPK7 (0.55) LRRK2ZAP70DCLK1MAPK7
SCHEMBL12729286 0.86 LRRK2 (0.57) LRRK2DCLK1EGFRIGF1RPTK2
SCHEMBL18018900 0.82 MAPK7 (0.55) LRRK2DCLK1EGFRIGF1RALK
SCHEMBL12780074 0.81 ULK1 (0.68) LRRK2ZAP70ULK1JAK2CDC7
SCHEMBL1911971 0.81 ULK1 (0.65) LRRK2ZAP70ULK1JAK2CDC7
SCHEMBL12729303 0.81 ULK1 (0.67) LRRK2ZAP70ULK1JAK2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 3211/4885ZAP70 341/4885ULK1 2595/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD LRRK2 3157/4885ZAP70 302/4885ULK1 2458/4885

“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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