SCHEMBL12780502

SCHEMBL12780502

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CC[C@H](NC)C3)cc2OCC)ncc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 4/20 0.62
▸ ALK Q9UM73 11/20 0.59
▸ INSR P06213 7/20 0.59
▸ IGF1R P08069 7/20 0.59
▸ EGFR P00533 6/20 0.59
▸ MAPK8 P45983 2/20 0.59
▸ MAPK9 P45984 2/20 0.59
▸ MAPK10 P53779 2/20 0.59
▸ CDC7 O00311 1/20 0.59
▸ PLK4 O00444 1/20 0.59
▸ CHEK1 O14757 1/20 0.59
▸ AURKA O14965 1/20 0.59
▸ DCLK1 O15075 1/20 0.59
▸ PDPK1 O15530 1/20 0.59
▸ DAPK3 O43293 1/20 0.59
▸ DYRK3 O43781 1/20 0.59
▸ JAK2 O60674 1/20 0.59
▸ PRKD3 O94806 1/20 0.59
▸ PAK4 O96013 1/20 0.59
▸ CHEK2 O96017 1/20 0.59

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
SCHEMBL12728750 0.94 ZAP70 (0.63) ZAP70ALKINSRIGF1REGFR
SCHEMBL12728769 0.91 ZAP70 (0.56) ZAP70ALKINSRIGF1REGFR
SCHEMBL10208646 0.89 ALK (0.66) ZAP70ALKINSRIGF1REGFR
SCHEMBL10209508 0.89 ZAP70 (0.69) ZAP70ALKINSRIGF1REGFR
SCHEMBL1911938 0.88 ALK (0.64) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780087 0.86 ALK (0.67) ZAP70ALKINSRIGF1REGFR
SCHEMBL12729034 0.84 ZAP70 (0.69) ZAP70ALKINSRIGF1REGFR
SCHEMBL12729035 0.83 ALK (0.66) ZAP70ALKINSRIGF1REGFR
SCHEMBL12729024 0.83 ALK (0.66) ZAP70ALKINSRIGF1REGFR
SCHEMBL1912059 0.83 ALK (0.66) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287156-B1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-05-29 — — 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
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 (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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