SCHEMBL12729395

SCHEMBL12729395

CCOc1cc(N2CCC(N(C)C(C)=O)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NCC(C)C)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 7/20 0.77
▸ ALK Q9UM73 12/20 0.60
▸ INSR P06213 3/20 0.53
▸ IGF1R P08069 3/20 0.53
▸ EGFR P00533 5/20 0.53
▸ ROS1 P08922 2/20 0.53
▸ BMPR1B O00238 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ STK25 O00506 1/20 0.51
▸ RIOK3 O14730 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ CASK O14936 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ DCLK1 O15075 1/20 0.51
▸ MUSK O15146 1/20 0.51
▸ EPHB6 O15197 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ MAP3K13 O43283 1/20 0.51
▸ DAPK3 O43293 1/20 0.51

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
SCHEMBL1912074 0.94 ZAP70 (0.75) ZAP70ALKINSRIGF1REGFR
SCHEMBL12729262 0.92 ZAP70 (0.77) ZAP70ALKINSRIGF1REGFR
SCHEMBL4099987 0.88 ZAP70 (0.83) ZAP70ALKINSRIGF1REGFR
SCHEMBL4099981 0.88 ZAP70 (0.83) ZAP70ALKINSRIGF1REGFR
SCHEMBL12917678 0.86 ZAP70 (0.64) ZAP70ALKINSRIGF1REGFR
SCHEMBL12781639 0.86 ZAP70 (0.88) ZAP70ALKINSRIGF1REGFR
SCHEMBL12893014 0.85 ZAP70 (0.71) ZAP70ALKINSRIGF1REGFR
SCHEMBL1912071 0.85 ZAP70 (0.75) ZAP70ALKINSRIGF1REGFR
SCHEMBL12729243 0.85 ZAP70 (0.75) ZAP70ALKINSRIGF1REGFR
SCHEMBL10207615 0.85 ALK (0.61) 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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