SCHEMBL12780182

SCHEMBL12780182

CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OCC)c(N3CCOCC3)cc2OCC)ncc1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 2/20 0.58
▸ FGFR3 P22607 2/20 0.54
▸ KDR P35968 2/20 0.54
▸ EGFR P00533 5/20 0.53
▸ LRRK2 Q5S007 1/20 0.52
▸ ALK Q9UM73 8/20 0.52
▸ INSR P06213 3/20 0.52
▸ BTK Q06187 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ ULK1 O75385 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL12781903 0.93 ZAP70 (0.59) ZAP70FGFR3KDREGFRLRRK2
SCHEMBL12780632 0.93 ZAP70 (0.55) ZAP70EGFRLRRK2ALKINSR
SCHEMBL12780337 0.91 ULK1 (0.60) ZAP70FGFR3KDREGFRALK
SCHEMBL12781911 0.89 ALK (0.59) ZAP70EGFRLRRK2ALKINSR
SCHEMBL12729482 0.88 ALK (0.58) ZAP70FGFR3KDREGFRLRRK2
SCHEMBL12781584 0.85 ULK1 (0.58) ZAP70FGFR3KDREGFRALK
SCHEMBL12780167 0.84 ULK1 (0.57) ZAP70FGFR3KDREGFRALK
SCHEMBL12781794 0.84 ZAP70 (0.72) ZAP70FGFR3KDREGFRLRRK2
SCHEMBL12862348 0.84 ULK1 (0.57) ZAP70FGFR3KDREGFRLRRK2
SCHEMBL12918408 0.84 ULK1 (0.57) ZAP70FGFR3KDREGFRALK

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
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 341/4885FGFR3 3028/4885KDR 1933/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ZAP70 302/4885FGFR3 2928/4885KDR 1774/4885

“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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