SCHEMBL12892750

SCHEMBL12892750

CCOc1cc(NCCCN(C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.62
▸ INSR P06213 9/20 0.61
▸ IGF1R P08069 2/20 0.57
▸ MET P08581 1/20 0.57
▸ ROS1 P08922 1/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ CDK4 P11802 1/20 0.57
▸ FGFR2 P21802 1/20 0.57
▸ FGFR4 P22455 1/20 0.57
▸ FGFR3 P22607 1/20 0.57
▸ EGFR P00533 1/20 0.56
▸ ZAP70 P43403 1/20 0.56
▸ PTK2 Q05397 1/20 0.56

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
SCHEMBL12892743 0.91 ZAP70 (0.59) ALKINSRIGF1RMETROS1
SCHEMBL12729248 0.90 ALK (0.57) ALKINSRIGF1RMETROS1
SCHEMBL10208090 0.90 ALK (0.51) ALKINSRIGF1RMETROS1
SCHEMBL1912080 0.89 ZAP70 (0.52) ALKINSRIGF1RMETROS1
SCHEMBL12892755 0.86 ALK (0.52) ALKINSRIGF1RMETROS1
SCHEMBL1911988 0.86 ZAP70 (0.57) ALKINSRIGF1RMETROS1
SCHEMBL1911973 0.85 ALK (0.59) ALKINSRIGF1RMETROS1
SCHEMBL1911983 0.85 ALK (0.52) ALKINSRIGF1RMETROS1
SCHEMBL12780097 0.85 ALK (0.55) ALKINSRIGF1RMETROS1
SCHEMBL12781678 0.85 ALK (0.57) ALKINSRIGF1RMETROS1

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
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-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 (1 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-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885INSR 2899/4885IGF1R 4633/4885

“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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