SCHEMBL10208085

SCHEMBL10208085

CCOc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 11/20 0.62
▸ ALK Q9UM73 6/20 0.56
▸ ROS1 P08922 3/20 0.56
▸ ZAP70 P43403 1/20 0.53
▸ BRD4 O60885 1/20 0.52
▸ MAPK7 Q13164 1/20 0.52
▸ MKNK2 Q9HBH9 2/20 0.52
▸ MET P08581 2/20 0.52
▸ INSR P06213 2/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ CDC7 O00311 1/20 0.52
▸ PLK4 O00444 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ DCLK1 O15075 1/20 0.52
▸ MAPK13 O15264 1/20 0.52
▸ PDPK1 O15530 1/20 0.52
▸ DYRK3 O43781 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ ROCK2 O75116 1/20 0.52

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
SCHEMBL1911954 0.93 LRRK2 (0.65) LRRK2ALKROS1ZAP70MAPK7
SCHEMBL1912025 0.92 LRRK2 (0.75) LRRK2ZAP70MKNK2MAP3K9
SCHEMBL12917680 0.91 LRRK2 (0.52) LRRK2ALKROS1ZAP70BRD4
SCHEMBL10208739 0.91 ZAP70 (0.59) LRRK2ALKROS1ZAP70BRD4
SCHEMBL1911990 0.91 ALK (0.68) LRRK2ALKROS1ZAP70MAPK7
SCHEMBL12729286 0.88 LRRK2 (0.57) LRRK2ALKBRD4MAPK7INSR
SCHEMBL14981287 0.88 LRRK2 (0.65) LRRK2ALKMKNK2INSRIGF1R
SCHEMBL1911961 0.87 EGFR (0.65) LRRK2ALKROS1ZAP70MAPK7
SCHEMBL12729207 0.84 ALK (0.75) ALKZAP70MKNK2METINSR
SCHEMBL10207520 0.84 ZAP70 (0.68) LRRK2ALKZAP70MKNK2MET

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-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-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 3211/4885ALK 3384/4885ROS1 3425/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD LRRK2 3157/4885ALK 3200/4885ROS1 3185/4885

“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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