SCHEMBL12917677

SCHEMBL12917677

COc1cc(O[C@@H]2CCN(C)C2)ccc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.60
▸ INSR P06213 7/20 0.60
▸ IGF1R P08069 5/20 0.60
▸ EGFR P00533 4/20 0.53
▸ EML4 Q9HC35 3/20 0.53
▸ ZAP70 P43403 4/20 0.52
▸ AURKA O14965 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ TTK P33981 2/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ AXL P30530 5/20 0.48
▸ MAP4K1 Q92918 2/20 0.46
▸ CDK4 P11802 2/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ NEK2 P51955 2/20 0.45
▸ BMPR1B O00238 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ STK25 O00506 1/20 0.45
▸ RIOK3 O14730 1/20 0.45

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
SCHEMBL12917969 1.00 ALK (0.60) ALKINSRIGF1REGFREML4
SCHEMBL12917645 0.94 ALK (0.52) ALKINSRIGF1REGFREML4
SCHEMBL12918398 0.94 ALK (0.52) ALKINSRIGF1REGFREML4
SCHEMBL1912065 0.91 ALK (0.72) ALKINSRIGF1REGFREML4
SCHEMBL1911963 0.91 ALK (0.72) ALKINSRIGF1REGFREML4
SCHEMBL12780272 0.90 ZAP70 (0.61) ALKINSRIGF1REGFRZAP70
SCHEMBL12918013 0.90 ZAP70 (0.61) ALKINSRIGF1REGFRZAP70
SCHEMBL14191724 0.90 ALK (0.60) ALKINSRIGF1REGFREML4
SCHEMBL12917643 0.90 ALK (0.60) ALKINSRIGF1REGFREML4
SCHEMBL12781781 0.88 INSR (0.58) 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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