SCHEMBL12780185

SCHEMBL12780185

CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)NCC2CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 19/20 0.57
▸ TTK P33981 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ MAP3K9 P80192 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49

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
SCHEMBL10209621 0.92 LRRK2 (0.67) LRRK2MAP3K9MKNK2
SCHEMBL12917662 0.90 LRRK2 (0.64) LRRK2TTKJAK2MAP3K9MKNK2
SCHEMBL12917680 0.83 LRRK2 (0.52) LRRK2TTKJAK2MKNK2
SCHEMBL12780297 0.82 BRD4 (0.51) LRRK2TTK
SCHEMBL1911971 0.82 ULK1 (0.65) LRRK2JAK2MAP3K9MKNK2
SCHEMBL1912025 0.82 LRRK2 (0.75) LRRK2MAP3K9MKNK2
SCHEMBL12918023 0.81 MAPK7 (0.55) LRRK2
SCHEMBL12918402 0.81 LRRK2 (0.66) LRRK2TTKJAK2MAP3K9MKNK2
SCHEMBL12917644 0.81 LRRK2 (0.66) LRRK2TTKJAK2MAP3K9MKNK2
SCHEMBL10208093 0.79 LRRK2 (0.68) LRRK2MAP3K9MKNK2

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 3211/4885TTK 3727/4885JAK2 589/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD LRRK2 3157/4885TTK 3767/4885JAK2 482/4885

“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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