SCHEMBL12781187

SCHEMBL12781187

CCN1CCC(Oc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC(C)C)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.62
▸ INSR P06213 14/20 0.62
▸ IGF1R P08069 3/20 0.54
▸ ZAP70 P43403 1/20 0.53
▸ KCNH2 Q12809 3/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ FGFR2 P21802 1/20 0.52
▸ FGFR4 P22455 1/20 0.52
▸ FGFR3 P22607 1/20 0.52
▸ ROS1 P08922 1/20 0.52
▸ AXL P30530 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
SCHEMBL12892725 0.93 ALK (0.55) ALKINSRIGF1RZAP70ROS1
SCHEMBL12780105 0.92 ALK (0.69) ALKINSRKCNH2FGFR1FGFR2
SCHEMBL12780133 0.92 ALK (0.69) ALKINSRIGF1RZAP70KCNH2
SCHEMBL12780138 0.92 ALK (0.69) ALKINSRIGF1RZAP70KCNH2
SCHEMBL12780125 0.91 ALK (0.59) ALKINSRIGF1RZAP70KCNH2
SCHEMBL12780128 0.91 ALK (0.72) ALKINSRIGF1RZAP70KCNH2
SCHEMBL12781682 0.91 ZAP70 (0.65) ALKINSRIGF1RZAP70KCNH2
SCHEMBL12780142 0.89 ALK (0.56) ALKINSRIGF1RZAP70KCNH2
SCHEMBL12892729 0.86 ALK (0.55) ALKINSRIGF1RZAP70AXL
SCHEMBL12892748 0.86 ALK (0.64) ALKINSRZAP70ROS1

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 ALK 3384/4885INSR 3201/4885IGF1R 4627/4885
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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