SCHEMBL12780084

SCHEMBL12780084

CCN[C@@H]1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OCC)c2)C1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 8/20 0.72
▸ ALK Q9UM73 5/20 0.65
▸ INSR P06213 4/20 0.65
▸ IGF1R P08069 4/20 0.65
▸ EGFR P00533 6/20 0.57
▸ AXL P30530 1/20 0.54
▸ NEK2 P51955 1/20 0.54

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
SCHEMBL12729024 0.94 ALK (0.66) ZAP70ALKINSRIGF1REGFR
SCHEMBL1912059 0.94 ALK (0.66) ZAP70ALKINSRIGF1REGFR
SCHEMBL12729035 0.94 ALK (0.66) ZAP70ALKINSRIGF1REGFR
SCHEMBL12781657 0.91 ZAP70 (0.78) ZAP70ALKINSRIGF1REGFR
SCHEMBL14175086 0.91 ALK (0.67) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780070 0.90 ZAP70 (0.77) ZAP70ALKINSRIGF1REGFR
SCHEMBL12892824 0.90 ALK (0.66) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780063 0.89 ZAP70 (0.77) ZAP70ALKINSRIGF1REGFR
SCHEMBL12781141 0.89 ZAP70 (0.91) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780213 0.88 ZAP70 (0.74) ZAP70ALKINSRIGF1REGFR

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 3 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-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 ZAP70 341/4885ALK 3384/4885INSR 3201/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ZAP70 302/4885ALK 3200/4885INSR 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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