SCHEMBL12728783

SCHEMBL12728783

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2OC(C)(C)C)ncc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 18/20 0.73
▸ ALK Q9UM73 18/20 0.73
▸ IGF1R P08069 17/20 0.73
▸ EGFR P00533 4/20 0.65
▸ FGFR1 P11362 3/20 0.65
▸ FGFR2 P21802 3/20 0.65
▸ FGFR4 P22455 3/20 0.65
▸ FGFR3 P22607 3/20 0.65
▸ CHEK1 O14757 2/20 0.65
▸ AURKA O14965 2/20 0.65
▸ NUAK1 O60285 2/20 0.65
▸ JAK2 O60674 2/20 0.65
▸ STK10 O94804 2/20 0.65
▸ PRKD3 O94806 2/20 0.65
▸ CHEK2 O96017 2/20 0.65
▸ ABL1 P00519 2/20 0.65
▸ ERBB2 P04626 2/20 0.65
▸ LCK P06239 2/20 0.65
▸ FYN P06241 2/20 0.65
▸ FES P07332 2/20 0.65

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
SCHEMBL10208069 0.90 ZAP70 (0.69) INSRALKIGF1REGFRFGFR1
SCHEMBL1911978 0.90 ZAP70 (0.62) INSRALKIGF1REGFRFGFR1
SCHEMBL12892728 0.88 ALK (0.72) INSRALKIGF1REGFRFGFR1
SCHEMBL12892810 0.87 ALK (0.66) INSRALKIGF1REGFRFGFR1
SCHEMBL12780087 0.87 ALK (0.67) INSRALKIGF1REGFRFGFR1
SCHEMBL1911947 0.86 ALK (0.65) INSRALKIGF1REGFRFGFR1
SCHEMBL12780636 0.85 ALK (0.61) INSRALKIGF1REGFRFGFR1
SCHEMBL12728780 0.83 ALK (0.71) INSRALKIGF1REGFRFGFR1
SCHEMBL12728781 0.83 INSR (0.71) INSRALKIGF1REGFRFGFR1
SCHEMBL12780126 0.83 ALK (0.74) INSRALKIGF1REGFRFGFR1

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

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