SCHEMBL375779

SCHEMBL375779

CCCS(=O)(=O)c1ccccc1Nc1nc(N)nc(-c2ccc(N3CCC(N4CCCCC4)CC3)cc2OC)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 4/20 0.54
▸ EGFR P00533 7/20 0.51
▸ ALK Q9UM73 11/20 0.48
▸ IGF1R P08069 6/20 0.48
▸ INSR P06213 5/20 0.48
▸ PTK2 Q05397 2/20 0.46
▸ PTK2B Q14289 2/20 0.46
▸ BMPR1B O00238 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ STK25 O00506 1/20 0.46
▸ RIOK3 O14730 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ CASK O14936 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ GAK O14976 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ MUSK O15146 1/20 0.46
▸ EPHB6 O15197 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ MAP3K13 O43283 1/20 0.46

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
SCHEMBL5768606 0.81 ZAP70 (0.77) ZAP70EGFRALKIGF1RINSR
SCHEMBL12780500 0.76 ZAP70 (0.70) ZAP70EGFRALKIGF1RINSR
SCHEMBL26092640 0.75 INSR (0.84) ZAP70EGFRALKIGF1RINSR
SCHEMBL12728763 0.74 ZAP70 (0.64) ZAP70EGFRALKIGF1RINSR
SCHEMBL3954411 0.74 ALK (0.60) ZAP70EGFRALKIGF1RINSR
SCHEMBL3956410 0.73 ZAP70 (0.53) ZAP70EGFRALKIGF1RINSR
SCHEMBL4055178 0.73 ALK (0.61) ZAP70EGFRALKIGF1RINSR
SCHEMBL1061877 0.73 ALK (0.72) ZAP70EGFRALKIGF1RINSR
SCHEMBL14736208 0.73 ALK (0.78) ZAP70EGFRALKIGF1RINSR
SCHEMBL1376839 0.71 ZAP70 (0.47) ZAP70EGFRALKIGF1RINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 — — EP claimed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 — — US claimed
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 claimed
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2006-11-02 — — US claimed
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-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 — — 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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 — — US disclosed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 — — 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-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2006-11-02 — — 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 (4 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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS JAK2, JAK3, JAK1 ZAP70 28/4885EGFR 213/4885ALK 125/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ZAP70 302/4885EGFR 2285/4885ALK 3200/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 ZAP70 49/4885EGFR 100/4885ALK 19/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP ZAP70 219/4885EGFR 2332/4885ALK 2563/4885

“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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