SCHEMBL1912066

SCHEMBL1912066

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 10/20 0.65
▸ ULK1 O75385 2/20 0.57
▸ ALK Q9UM73 6/20 0.53
▸ IGF1R P08069 3/20 0.53
▸ INSR P06213 2/20 0.53
▸ MET P08581 2/20 0.50
▸ EGFR P00533 2/20 0.50
▸ AURKA O14965 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ CDC7 O00311 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ DCLK1 O15075 1/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ DAPK3 O43293 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ PAK4 O96013 1/20 0.50

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
SCHEMBL10207594 1.00 ZAP70 (0.65) ZAP70ULK1ALKIGF1RINSR
SCHEMBL12892722 0.96 ZAP70 (0.66) ZAP70ULK1ALKIGF1RINSR
SCHEMBL12729074 0.93 ZAP70 (0.75) ZAP70ULK1ALKIGF1RINSR
SCHEMBL1911992 0.93 ZAP70 (0.75) ZAP70ULK1ALKIGF1RINSR
SCHEMBL12892731 0.93 ZAP70 (0.63) ZAP70ULK1ALKIGF1RINSR
SCHEMBL12892733 0.92 ZAP70 (0.61) ZAP70ULK1ALKIGF1RINSR
SCHEMBL12780153 0.91 ALK (0.53) ZAP70ULK1ALKIGF1RINSR
SCHEMBL1912061 0.91 ALK (0.64) ZAP70ALKIGF1RINSRMET
SCHEMBL14191671 0.91 ALK (0.53) ZAP70ULK1ALKIGF1RINSR
SCHEMBL10207597 0.91 ALK (0.64) ZAP70ALKIGF1RINSRMET

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 — — EP disclosed
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
EP-2287156-A1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders Novartis AG (CH) 2011-02-23 — — EP 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 341/4885ULK1 2595/4885ALK 3384/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ZAP70 302/4885ULK1 2458/4885ALK 3200/4885

“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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