SCHEMBL12892728

SCHEMBL12892728

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2OC)ncc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.72
▸ INSR P06213 14/20 0.72
▸ IGF1R P08069 14/20 0.72
▸ EGFR P00533 5/20 0.70
▸ CHEK1 O14757 2/20 0.65
▸ AURKA O14965 2/20 0.65
▸ JAK2 O60674 2/20 0.65
▸ PRKD3 O94806 2/20 0.65
▸ CHEK2 O96017 2/20 0.65
▸ ERBB2 P04626 2/20 0.65
▸ LCK P06239 2/20 0.65
▸ FES P07332 2/20 0.65
▸ CSF1R P07333 2/20 0.65
▸ RET P07949 2/20 0.65
▸ MET P08581 2/20 0.65
▸ HCK P08631 2/20 0.65
▸ ROS1 P08922 2/20 0.65
▸ FGFR1 P11362 2/20 0.65
▸ PHKG2 P15735 2/20 0.65
▸ FER P16591 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
SCHEMBL12780087 0.95 ALK (0.67) ALKINSRIGF1REGFRCHEK1
SCHEMBL12892810 0.94 ALK (0.66) ALKINSRIGF1REGFRCHEK1
SCHEMBL12780636 0.92 ALK (0.61) ALKINSRIGF1REGFRCHEK1
SCHEMBL12728737 0.91 ALK (0.59) ALKINSRIGF1REGFRCHEK1
SCHEMBL10207506 0.91 ALK (0.60) ALKINSRIGF1REGFRCHEK1
SCHEMBL12780228 0.89 ALK (0.57) ALKINSRIGF1REGFRCHEK1
SCHEMBL12728783 0.88 INSR (0.73) ALKINSRIGF1REGFRCHEK1
SCHEMBL1911947 0.87 ALK (0.65) ALKINSRIGF1REGFRCHEK1
SCHEMBL1911938 0.86 ALK (0.64) ALKINSRIGF1REGFRCHEK1
SCHEMBL12729784 0.85 INSR (0.52) ALKINSRIGF1REGFRPTK2

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-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 (1 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-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.

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