SCHEMBL12729786

SCHEMBL12729786

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)nc2C)ncc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.57
▸ EGFR P00533 8/20 0.57
▸ INSR P06213 4/20 0.52
▸ IGF1R P08069 4/20 0.52
▸ AURKA O14965 2/20 0.52
▸ ROS1 P08922 2/20 0.52
▸ EML4 Q9HC35 1/20 0.52
▸ AXL P30530 1/20 0.51
▸ ULK1 O75385 1/20 0.48
▸ PLK1 P53350 2/20 0.47
▸ MAPK8 P45983 2/20 0.47
▸ MAPK9 P45984 2/20 0.47
▸ MAPK10 P53779 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ DYRK3 O43781 1/20 0.47

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
SCHEMBL12729791 0.95 EGFR (0.54) ALKEGFRINSRIGF1RAURKA
SCHEMBL12729789 0.95 EGFR (0.54) ALKEGFRINSRIGF1RAURKA
SCHEMBL12780190 0.93 EGFR (0.48) ALKEGFRINSRIGF1RAURKA
SCHEMBL12917664 0.90 ULK1 (0.53) ALKEGFRINSRIGF1RAURKA
SCHEMBL12781937 0.89 ALK (0.46) ALKEGFRINSRIGF1RAURKA
SCHEMBL12780208 0.89 ALK (0.46) ALKEGFRINSRIGF1RAURKA
SCHEMBL12729784 0.88 INSR (0.52) ALKEGFRINSRIGF1RAXL
SCHEMBL12729763 0.88 PTK2 (0.61) ALKEGFRINSRIGF1RAURKA
SCHEMBL12728766 0.85 ALK (0.60) ALKEGFRINSRIGF1RAURKA
SCHEMBL1912053 0.85 ALK (0.60) ALKEGFRINSRIGF1RAURKA

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 3384/4885EGFR 2731/4885INSR 3201/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885EGFR 2285/4885INSR 2899/4885

“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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