SCHEMBL12917645

SCHEMBL12917645

CCOc1cc(O[C@H]2CCN(C)C2)ccc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.52
▸ INSR P06213 7/20 0.52
▸ IGF1R P08069 4/20 0.52
▸ EGFR P00533 1/20 0.48
▸ EML4 Q9HC35 1/20 0.48
▸ ZAP70 P43403 2/20 0.47
▸ AXL P30530 6/20 0.46
▸ AURKA O14965 2/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL12918398 1.00 ALK (0.52) ALKINSRIGF1REGFREML4
SCHEMBL12917969 0.94 ALK (0.60) ALKINSRIGF1REGFREML4
SCHEMBL12917677 0.94 ALK (0.60) ALKINSRIGF1REGFREML4
SCHEMBL1912106 0.91 ALK (0.63) ALKINSRIGF1RZAP70AXL
SCHEMBL1911958 0.91 ALK (0.63) ALKINSRIGF1RZAP70AXL
SCHEMBL12780153 0.91 ALK (0.53) ALKINSRIGF1REGFRZAP70
SCHEMBL14191671 0.91 ALK (0.53) ALKINSRIGF1REGFRZAP70
SCHEMBL12918034 0.90 ALK (0.55) ALKINSRIGF1REGFREML4
SCHEMBL12917676 0.90 ALK (0.55) ALKINSRIGF1REGFREML4
SCHEMBL12780539 0.89 ZAP70 (0.61) ALKINSRIGF1REGFREML4

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 2 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-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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