SCHEMBL12729248

SCHEMBL12729248

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.57
▸ INSR P06213 6/20 0.57
▸ ROS1 P08922 3/20 0.57
▸ MET P08581 3/20 0.57
▸ EGFR P00533 3/20 0.57
▸ IGF1R P08069 3/20 0.57
▸ FGFR1 P11362 2/20 0.57
▸ FGFR3 P22607 2/20 0.57
▸ 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
▸ MAPK13 O15264 1/20 0.57
▸ PDPK1 O15530 1/20 0.57
▸ DYRK3 O43781 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ RPS6KA5 O75582 1/20 0.57
▸ PRKD3 O94806 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
SCHEMBL1911973 0.95 ALK (0.59) ALKINSRROS1METEGFR
SCHEMBL12892743 0.92 ZAP70 (0.59) ALKINSRROS1METEGFR
SCHEMBL12780097 0.92 ALK (0.55) ALKINSRROS1METEGFR
SCHEMBL12781678 0.92 ALK (0.57) ALKINSRROS1METEGFR
SCHEMBL1912080 0.91 ZAP70 (0.52) ALKINSRROS1METEGFR
SCHEMBL12781796 0.91 ZAP70 (0.49) ALKINSRROS1METEGFR
SCHEMBL10208090 0.91 ALK (0.51) ALKINSRROS1METEGFR
SCHEMBL12892750 0.90 ALK (0.62) ALKINSRROS1METEGFR
SCHEMBL1911988 0.89 ZAP70 (0.57) ALKINSRROS1METEGFR
SCHEMBL12729377 0.87 ZAP70 (0.57) ALKINSRROS1METEGFR

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 4 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
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 ALK 3384/4885INSR 3201/4885ROS1 3425/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885INSR 2899/4885ROS1 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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