SCHEMBL12893066

SCHEMBL12893066

Cc1nc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 6/20 0.62
▸ NEK2 P51955 1/20 0.62
▸ ZAP70 P43403 2/20 0.58
▸ AURKA O14965 1/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ ALK Q9UM73 8/20 0.54
▸ INSR P06213 5/20 0.54
▸ IGF1R P08069 2/20 0.54
▸ CCNK O75909 2/20 0.53
▸ CCND3 P30281 2/20 0.53
▸ CDK9 P50750 2/20 0.53
▸ CDK6 Q00534 2/20 0.53
▸ CCNA2 P20248 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ EGFR P00533 1/20 0.52
▸ LRRK2 Q5S007 1/20 0.52
▸ ROS1 P08922 2/20 0.49
▸ MAP4K1 Q92918 1/20 0.49

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
SCHEMBL12918418 0.92 AXL (0.62) AXLNEK2ZAP70AURKAAURKB
SCHEMBL12729797 0.89 AXL (0.60) AXLNEK2ZAP70AURKAAURKB
SCHEMBL12729777 0.88 ALK (0.62) ZAP70ALKINSREGFRROS1
SCHEMBL12729742 0.88 AXL (0.61) AXLNEK2ZAP70AURKAAURKB
SCHEMBL1912024 0.86 ALK (0.65) AXLNEK2ZAP70AURKAAURKB
SCHEMBL12729799 0.85 ZAP70 (0.59) AXLNEK2ZAP70AURKAAURKB
SCHEMBL1912125 0.85 ZAP70 (0.59) AXLNEK2ZAP70AURKAAURKB
SCHEMBL12729770 0.83 PTK2 (0.58) AXLNEK2AURKAAURKBALK
SCHEMBL12780629 0.83 ZAP70 (0.84) AXLNEK2ZAP70AURKAAURKB
SCHEMBL12780345 0.82 ZAP70 (0.71) AXLNEK2ZAP70AURKAAURKB

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 AXL 1754/4885NEK2 587/4885ZAP70 302/4885

“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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