SCHEMBL12780509

SCHEMBL12780509

CC(C)Oc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.91
INSR P06213 8/20 0.85
FGFR1 P11362 2/20 0.85
FGFR2 P21802 2/20 0.85
FGFR4 P22455 2/20 0.85
FGFR3 P22607 2/20 0.85
IGF1R P08069 5/20 0.77
ZAP70 P43403 3/20 0.77
ROS1 P08922 2/20 0.77
PTK2 Q05397 2/20 0.77
BMPR1B O00238 1/20 0.77
PLK4 O00444 1/20 0.77
STK25 O00506 1/20 0.77
RIOK3 O14730 1/20 0.77
CHEK1 O14757 1/20 0.77
CASK O14936 1/20 0.77
AURKA O14965 1/20 0.77
GAK O14976 1/20 0.77
DCLK1 O15075 1/20 0.77
MUSK O15146 1/20 0.77

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
SCHEMBL12780141 0.93 ALK (0.88) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12780112 0.93 ALK (0.88) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12729294 0.92 ALK (0.87) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12780522 0.92 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12780504 0.92 ALK (0.77) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12892781 0.87 ALK (0.91) ALKINSRFGFR1FGFR2FGFR4
Tae-684 SCHEMBL29641017 0.87 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
Tae-684 SCHEMBL282775 0.87 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12729778 0.87 ALK (0.81) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL21478104 0.86 ALK (0.87) ALKINSRFGFR1FGFR2FGFR4

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
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-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 3201/4885FGFR1 3527/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885INSR 2899/4885FGFR1 3601/4885

“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.