SCHEMBL12780225

SCHEMBL12780225

CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2C(F)(F)F)ncc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.69
INSR P06213 6/20 0.69
IGF1R P08069 4/20 0.69
CDK7 P50613 3/20 0.69
PTK2 Q05397 3/20 0.69
FGFR1 P11362 2/20 0.69
FGFR2 P21802 2/20 0.69
FGFR4 P22455 2/20 0.69
FGFR3 P22607 2/20 0.69
ZAP70 P43403 2/20 0.69
EGFR P00533 2/20 0.69
BMPR1B O00238 1/20 0.69
PLK4 O00444 1/20 0.69
STK25 O00506 1/20 0.69
RIOK3 O14730 1/20 0.69
CHEK1 O14757 1/20 0.69
CASK O14936 1/20 0.69
AURKA O14965 1/20 0.69
GAK O14976 1/20 0.69
DCLK1 O15075 1/20 0.69

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
SCHEMBL12781921 0.90 ALK (0.69) ALKINSRIGF1RCDK7PTK2
SCHEMBL12780642 0.90 ALK (0.73) ALKINSRIGF1RCDK7PTK2
SCHEMBL12780112 0.88 ALK (0.88) ALKINSRIGF1RCDK7PTK2
SCHEMBL14981318 0.87 PTK2 (0.77) ALKINSRIGF1RCDK7PTK2
SCHEMBL12892763 0.86 ALK (0.77) ALKINSRIGF1RCDK7PTK2
SCHEMBL12781926 0.86 ZAP70 (0.68) ALKINSRIGF1RCDK7PTK2
SCHEMBL12780218 0.86 ALK (0.68) ALKINSRIGF1RCDK7PTK2
SCHEMBL1912035 0.86 ALK (0.76) ALKINSRIGF1RCDK7PTK2
SCHEMBL12781758 0.86 ALK (0.78) ALKINSRIGF1RCDK7PTK2
SCHEMBL12729803 0.84 CDK7 (0.65) ALKINSRIGF1RCDK7PTK2

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 5 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-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 3384/4885INSR 3201/4885IGF1R 4627/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885INSR 2899/4885IGF1R 4633/4885

“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.